For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

IGIDLTISMCAULB-UHFFFAOYSA-N

Compound with spectra: 22 NMR, 9 FTIR, 1 Raman, and 10 MS (GC)

IGIDLTISMCAULB-UHFFFAOYSA-N
SpectraBase Compound ID Gn644OjwOap
InChI InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey IGIDLTISMCAULB-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample THE AMES LABORATORIES, INC., MILFORD, CONNECTICUT
Technique CAPILLARY CELL: NEAT

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

FTIR Spectrum
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Technique Film

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample THE AMES LABORATORIES, INC., MILFORD, CONNECTICUT
Technique CAPILLARY CELL: NEAT

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

FTIR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 222453
Technique Between salts

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

FTIR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number W343706
Technique Between salts

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Research Organic/Inorganic Chemical Corporation, Belleville, New Jersey
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent C6F6

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Neat liquid

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Neat liquid

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Neat liquid

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Neat liquid

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 222453
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

Vapor Phase IR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

Vapor Phase IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 222453

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

Vapor Phase IR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 222453

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

MS (GC) Spectrum
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

MS (GC) Spectrum
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Source of Sample SAFC Cat.no. W343706
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-9187-0

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum UT-1990-866-0

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum NP-0-4511-0

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum PR-1123-0-0

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-2579-0-0

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum MG-416-0-0

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum IC-93-0-0

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number W343706

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 222453
Solvent CDCl3

View Spectrum of IGIDLTISMCAULB-UHFFFAOYSA-N

Raman Spectrum
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 222453
  • 3-METHYLVALERIANSAEURE
  • 3-Methylvaleric acid
  • 3-Methylpentanoic acid
  • Valeric acid<3-methyl->
  • sec-BUTYLACETIC ACID
  • beta-METHYLVALERIC ACID
  • 2-METHYLBUTANE-1-CARBOXYLIC ACID
  • Pentanoic acid <3-methyl->
  • (+/-)-3-Methylvaleric acid
Isovaleric acid
isovaleric acid, potassium salt
isovaleric acid, sodium salt
isovaleric acid, ammonium salt
3-Methyl-5-hexynoic Acid
(R,S)-5-AMINO-3-METHYL-PENTANOIC-ACID
Mixture of dimethylhexanoic acids
Pentanoic acid, 3-methyl-, methyl ester
Cyclopropaneacetic acid
2-Hexanone, 4-methyl-
Title Journal or Book Year
Carbon-13 chemical shifts of some model carboxylic acids and esters Organic Magnetic Resonance 1978

KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley

The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.

KnowItAll Mass Spectral Library
Author: Wiley

The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.