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2-Methyl-butyric acid, methyl ester
SpectraBase Compound ID L5fgagH78mj
InChI InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
InChIKey OCWLYWIFNDCWRZ-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hIFWTmZsyZ
Name BUTANOIC ACID, 2-METHYL-, METHYL ESTER
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.
Exact Mass 116.083729624 u
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
InChIKey OCWLYWIFNDCWRZ-UHFFFAOYSA-N
Molecular Weight 116.160 g/mol
Nominal Mass 116 u
Number of Peaks 41
SMILES CCC(C(OC)=O)C
SPLASH splash10-0a4r-9000000000-401f55b9ffcdbe2ceb8e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX001084