IR Spectral Data

Compound Type	Resource
	Aldrich Spectral Viewer with FT-IR and FT-NMR Libraries. (Online - accessible on campus library workstations)
	Aldrich library of FT-IR spectra. Aldrich Chemical Co., 1985-1989. Chemistry Library Reference: QD96 I5 P66 1985
	Atlas of near infrared spectra. Sadtler, 1981. Chemistry Library Reference: QC457 A77
	Handbook of natural products data. Elsevier, 1990. Chemistry Library Reference: QD 415.7 R34 1990 1
	Handbook of organic compounds : NIR, IR, Raman, and UV-Vis spectra featuring polymers and surfactants. Academic Press, 2001. Chemistry Library Reference: QC462.85 H36 2001 (vol. 3)
	Infrared spectra handbook of inorganic compounds. Sadtler, 1984. Chemistry Library Reference: QC457 I5265 1984
	Infrared spectra of inorganic compounds (3800-45cm-¹). Academic Press, 1971. Chemistry Library Reference: QC457 N93 1971
	NIST Chemistry WebBook. http://webbook.nist.gov/chemistry/. (8700+ compounds)
	Raman/infrared atlas of organic compounds. 2nd ed. VCH, 1989. Chemistry Library Reference: QD272 S6 S3713 1989
	Rapra collection of infrared spectra of rubbers, plastics, and thermoplastic elastomers. 2nd ed. Rapra Technology Ltd., 1997. Available through Knovel
	Roth collection of natural products data : concise descriptions and spectra. VCH, 1995. Pharmacy Library Reference: QD415 R68 1995
	Sadtler Spectra collections and indices. Standard IR grating spectra. Chemistry Library Reference: (green binders) Standard infrared spectra (prism) . Chemistry Library Reference: (green binders)
	SDBS: Integrated Spectral Data Base System for Organic Compounds. http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi
	Spectra for the identification of additives in food packaging. Kluwer Academic Publishers, 1998. Steenbock Library: TP374 S65 1998
	Spectral data for PCBs. Thermodynamics Research Center, 1994. Steenbock Library: QD412 C5 S64 1994
	Spectroscopic data of saponins : the triterpenoid glycosides. CRC Press, 2000. Steenbock Library: QC463 C3 A46 2000
	Thermodynamics Research Center (TRC). Hydrocarbon Project (1943-1977). Formula index: vol 10. Chemistry Library Reference: QC457 A55 Selected Infrared Spectral Data (1960-1983). Formula index: vol. 4. Chemistry Library Reference: QC457 A551 TRC spectral data. Infrared (1985-2000). Formula index: vol 6. Chemistry Library Reference: QC457 A552

MS Spectral Data

Compound Type	Resource
	Brassinosteroids: a new class of plant hormones. Khripach, V.N. Zhabinskii, A.E. de Groot. San Diego : Academic Press, 1999. Steenbock Library: QK898 B85 K47 1999
	Eight peak index of mass spectra. Royal Society of Chemistry, 1983. Chemistry Library Reference: QC454 M3 E5 1983
	Handbook of natural products data. Elsevier, 1990. Chemistry Library Reference: QD 415.7 R34 1990 1
	Mass spectrometry of pesticides and pollutants. CRC Press, 1973. Pharmacy Library: SB960 S23 Steenbock Library: SB960 S23
	NIST Chemistry WebBook. http://webbook.nist.gov/chemistry/. (12,600+ compounds)
	Pharmaceutical mass spectra : a compilation of mass spectra of drugs, metabolites and other compounds of pharmaceutical interest. Pharmaceutical Press, 1985. Pharmacy Library: RS92 P525y 1985
	Roth collection of natural products data : concise descriptions and spectra. VCH, 1995. Pharmacy Library Reference: QD415 R68 1995
	SDBS: Integrated Spectral Data Base System for Organic Compounds. http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi
	Spectra for the identification of additives in food packaging. Kluwer Academic Publishers, 1998. Steenbock Library: TP374 S65 1998
	Spectral data for PCBs. Thermodynamics Research Center, 1994. Steenbock Library: QD412 C5 S64 1994
	Spectroscopic data of saponins : the triterpenoid glycosides. CRC Press, 2000. Steenbock Library: QC463 C3 A46 2000
	TRC Spectral Data: Mass. 1979-1981. Chemistry Library Reference: QC463 H9 A63
	Wiley registry of mass spectral data, 7th edition, with NIST98 spectra [computer file]. 2000. Chemistry Library Stand-alone computer in room 2361F.

NMR Spectral Data

Compound Type	Resource
	Aldrich Spectral Viewer with FT-IR and FT-NMR Libraries. (Online - accessible onn campus library workstations)
	Aldrich library of ¹³C and ¹H FT NMR spectra. 1993. Chemistry Library Reference: QC462.85 A44 1993
	Aldrich library of NMR spectra. 1983. Chemistry Library Reference: QD96 N8 P68 1983
	¹³C-NMR of natural products. Plenum Press, 1992. Chemistry Library Reference: QD415 R214 1992
	¹³C NMR data for organometallic compounds. Academic Press, 1981. Chemistry Library Reference: QD411 M365 1981
	C-13 Chemical Shifts. Hans J. Reich, University of Wisconsin - Madison Chemistry Department.
	Enhanced NMR periodic Table. NMR Facility, Texas A&M University
	Handbook of natural products data. Elsevier, 1990. Chemistry Library Reference: QD 415.7 R34 1990 1
	NMRShiftDB. http://www.nmrshiftdb.org/ (An open-source, open-access, open-submission, open-content web database for chemical structures)
	Nuclear magnetic resonance spectra. Sadtler. Chemistry Library Reference: (green binders)
	Online Prediction of 1H-NMR and 13C-NMR shift values. Upstream Solutions GmbH.
	Proton and Carbon NMR Spectra of Polymers 5th ed. Wiley. 2003. Chemistry Library Reference: QC463 P5 P76 2003
	Proton Chemical Shifts. Hans J. Reich, University of Wisconsin - Madison Chemistry Department.
	Roth collection of natural products data : concise descriptions and spectra. VCH, 1995. Pharmacy Library Reference: QD415 R68 1995
	Sadtler NMR spectra. Chemistry Library Reference: (green binders)
	SDBS: Integrated Spectral Data Base System for Organic Compounds. http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi
	Spectra for the identification of additives in food packaging. Kluwer Academic Publishers, 1998. Steenbock Library: TP374 S65 1998
	Spectroscopic data of saponins : the triterpenoid glycosides. CRC Press, 2000. Steenbock Library: QC463 C3 A46 2000
	Thermodynamics Research Center (TRC). Selected ¹H nuclear magnetic resonance spectral data. 1967-1984. Chemistry Library Reference: QD591 M3. Selected nuclear magnetic resonance spectral data, < 100 MHz (Hydrogen Project). 1959- 1982. Chemistry Library Reference QD591 M4. Selected nuclear magnetic resonance spectral data, 100 >= MHz < 300 (serials "c" and "x"). Chemistry Library Reference QD591 M41

Raman Spectral Data

Compound Type	Resource
	Handbook of organic compounds : NIR, IR, Raman, and UV-Vis spectra featuring polymers and surfactants. Academic Press, 2001. Chemistry Library Reference: QC462.85 H36 2001 (vol. 3)
	Raman/infrared atlas of organic compounds. 2nd ed. VCH, 1989. Chemistry Library Reference: QD272 S6 S3713 1989
	Raman spectra of polymers. Wiley & Sons, 1993. Chemistry Library Reference: QC462 P5 H45 1993
	Resonance Raman spectra of polyenes and aromatics. Wiley, 1987. Health: QC 454 R36 B615a v.2 1987 Steenbock Library: QP519.9 R36 B56 1987 v.2
	SDBS: Integrated Spectral Data Base System for Organic Compounds. http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi
	TRC Spectral Data: Raman. 1986- . Formula index in vol 3. Supp. Formula index in Supp vol 4. Chemistry Library Reference: QC463 H9 A65 + Supp

UV/Vis Spectral Data

Compound Type	Resource
	Absorption spectra in the ultraviolet and visible region. Academic Press (1961- 1982). Name and Formula indexes: 105, 6-10, 11-15, 16-20). Chemistry Library Reference: QC437 L323
	Atlas of Protein Spectra in the Ultraviolet and Visible Regions. Volume 1 (1972), Volume 2 (1974). Kluwer Academic Press, 1972. Volume 1: http://www.knovel.com/knovel2/Toc.jsp?BookID=1013 Volume 2: http://www.knovel.com/knovel2/Toc.jsp?BookID=1014 Chemistry Library Reference: QC463 P7 K5 (v. 1-3). Note: V. 3 is titled Bibliographic atlas of protein spectra in the ultraviolet and visible regions. Ebling: QU 17 A881p 1972-74 (v. 1-2) Steenbock: QC463 P7 K5 (v. 1-2)
	Handbook of natural products data. Elsevier, 1990. Chemistry Library Reference: QD 415.7 R34 1990 1
	Handbook of organic compounds : NIR, IR, Raman, and UV-Vis spectra featuring polymers and surfactants. Academic Press, 2001. Chemistry Library Reference: QC462.85 H36 2001 (vol. 2)
	Handbook of Ultraviolet and Visible Absorption Spectra of Organic Compounds. 1967 Springer - Verlag. Knovel: http://www.knovel.com/knovel2/Toc.jsp?BookID=972
	NIST Chemistry WebBook. http://webbook.nist.gov/chemistry/. (400+ compounds)
	Roth collection of natural products data : concise descriptions and spectra. VCH, 1995. Pharmacy Library Reference: QD415 R68 1995
	Spectral data of natural products. Elsevier, 1970- Chemistry Library Reference: QC453 Y35
	Standard ultra violet spectra. Sadtler, [1964-. Chemistry Library Reference: (green binders)
	Thermodynamics Research Center (TRC). Selected ultraviolet spectral data (1945-1984). Chemistry Library Reference: QC463 H9 A68 Selected ultraviolet spectral data (1959-1975). Chemistry Library Reference: QC463 H9 A681 TRC spectral data. Ultraviolet (1985-2000). Chemistry Library Reference: QC463 H9 A682
	UV atlas of organic compounds. Plenum [1966- Chemistry Library Reference: QC459 U85 1966

Dictionaries and Encyclopedias

• Dictionary of concepts in NMR. Clarendon, 1992.
  Chemistry Library Reference: QD96 N8 H65 1992
• Dictionary of spectroscopy. Wiley [1973]
  Chemistry Library Reference: QC450.3 D46 1973
• Encyclopedia of spectroscopy and spectrometry. Academic Press, 2000.
  Chemistry Library Reference: QD95 E55 2000

Handbooks and Manuals

• CRC atlas of spectral data and physical constants for organic compounds. CRC Press [1973]
  Chemistry Library Reference: QD291 C18
• Handbook of infrared standards II : with spectral coverage of 1.4 [mu]m-4 [mu]m and 6.2 [mu]m-7.7 [mu]m. Academic Press, 1993.
  Chemistry Library Reference: QC457 G831 1993
• Handbook of organic compounds : NIR, IR, Raman, and UV-Vis spectra featuring polymers and surfactants (a 3-volume set), Jerry Workman, Jr., Editor. Academic Press, San Diego, 2001.
  Chemistry Library Reference: QC462.85 H36 2001 (1-3)
• Handbook of spectroscopy. CRC Press, 1974.
  Chemistry Library Reference: QD95 H27
• Handbook of vibrational spectroscopy.Wiley, 2002.
  Chemistry Library Reference: QD98 V53 H36 2002
• Infrared and Raman characteristic group frequencies : tables and charts. Wiley, 2001.
  Chemistry Library Reference: QC457 S69 2001
• Interpreting protein mass spectra : a comprehensive resource. A. Peter Snyder. American Chemical Society, New York : Oxford University Press, 2000.
  Steenbock Library: QD431.25 A53 S69 2000
• Methods for analytical atomic spectroscopy : practices, terminology, guides, standard methods, suggested methods. 8th ed. ASTM, 1987.
  Chemistry Library Reference: QD96 E46 M48 1987
• Organic electronic spectral data.Wiley. 1960-1995. (index to the literature 1946-1989)
  Chemistry Library Reference: QC437 O65
• Practical handbook of spectroscopy. CRC, 1991.
  Chemistry Library Reference: QD95 P73 1991
  Wendt Library Reference: QD95 P73 1991
• Spectroscopic methods for determining protein structure in solution. VCH, 1996.
  Steenbock Library: QP551 S677 1996
• Tables of spectral data for structure determination of organic compounds. Springer-Verlag, 1989.
  Chemistry Library Reference: QC462.85 T313 1989
• Vibrational and electronic energy levels of polyatomic transient molecules.American Chemical Society ; American Institute of Physics, for the National Institute of Standards and Technology, 1994.
  Chemistry Library Reference: QC454 M6 J253 1994

Selected Journals

• Applied spectroscopy. Ingenta (1997)-. Chemistry Library: LN AP5 SP27.
• European journal of mass spectrometry.Chemistry Library: LN EU7 M372
• Journal of the American Society for Mass Spectrometry. ScienceDirect (1990-1994), ScienceDirect Web Editions (most recent 12 months.) Chem: LN J82 AM33 SO12.
• Journal of analytical atomic spectrometry : JAAS. Royal Society of Chemistry (1997-). Chemistry Library: LN J82 AN12
• Journal of biomolecular NMR. Chemistry Library: LN J82 B524. Kluwer Online (1997-).
• Journal of magnetic resonance. Chemistry Library: LN J82 M271. ScienceDirect (1997-).
• Journal of mass spectrometry : JMS. Chemistry Library: LN J82 M411. Wiley Interscience (1997-).
• Journal of molecular spectroscopy. Chemistry Library: LN J82 M73. ScienceDirect Web (most recent 12 months).
• Journal of quantitative spectroscopy & radiative transfer. Physics Library: LH 7J82 Q24.
• Mass spectrometry reviews. Chemistry Library: LN M37 SP34. Wiley Interscience (1997-).
• Progress in nuclear magnetic resonance spectroscopy. Chemistry Library: LN P946 N88. ScienceDirect (1966-1994) ScienceDirect Web Editions (most recent 12 months.)
• Rapid communications in mass spectrometry : RCM. Chemistry Library: LN R18 C73. Wiley Interscience (1997-).
• Spectroscopy (Ottawa, Ont.). Chemistry Library: LN SP383 A1 OT8 (1982-1996). Academic Search Elite (1998-present. Most recent 3 months may not be available online.)

Journal Databases

Reaxys (formerly Beilstein/Gmelin CrossFire)

Search tips:

• Use Spectral Properties (Form-based) Search Form for simple searches.
• Combine spectroscopy Properties (Advanced) codes (spe, nmr, ir, ms, uv, etc.) with a structure/substructure to search for the presence of spectral data on a given substance.

SciFinder Web

For one-time registration and search help, see SciFinder Web

Search tips:

Option 1

1. Search by Substance (structure, identifier, molecular formula).
2. (Optional) If results set includes a number of substance records and you only want experimental spectrum, click REFINE, select PROPERTY AVAILABILITY, select ANY SELECTED EXPERIMENTAL PROPERTY, then select desired spectrum.
3. Click Substance Detail link to display property information, including available spectrum.
   Predicted NMR data calculated using Advanced Chemistry Development, Inc. (ACD/Labs) Software
   Experimental spectrum may be provided by Wiley, BioRad, AIST, or other source, or viewed in full-text article.

Option 2:

1. Search by Substance (structure, identifier, molecular formula).
2. Click REFERENCES.
3. Limit references to REFERENCES ASSOCIATED WITH SPECTRAL PROPERTIES. (Note: This limits search resutls from 1967 - present.)
4. Click REFINE.
5. Select RESEARCH TOPIC and enter specific spectral keywords

Or for a broader search...

1. Search by Substance (structure, identifier, molecular formula).
2. Click REFERENCES.
3. Select ALL REFERENCES.
4. Click REFINE.
5. Select RESEARCH TOPIC and enter specific spectral keywords

Locating Books

MadCat Subject Headings -- Use BASIC "Subject Browse" Search.

Web Sites

• Applications of 1H NMR spectroscopy. http://www.chem.uni-potsdam.de/~thomas/1hbuch/english/index.html.
• Compilation of extra information about FTIR spectroscopy and IR materials. Advanced Light Source, Lawrence Berkeley National Laboratory. http://infrared.als.lbl.gov/FTIRinfo.html.
• NIST Atomic Spectra Database. http://physics.nist.gov/PhysRefData/ASD/. (accessed 10/31/07).
• Spectral Data. United States Environmental Protection Agency. http://www.epa.gov/ttn/emc/ftir/data.html (accessed 10/31/07).
• spectroscopyNOW.com. http://www.spectroscopynow.com/ (accessed 10/31/07).
• Understanding Chemistry: Instrumental Analysis. http://www.chemguide.co.uk/analysismenu.html. (accessed 10/31/07).
• WebSpectra - Problems in NMR and IR Spectrocopy. http://www.chem.ucla.edu/~webspectra/. (accessed 10/31/07)