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2-Methylvaleric acid
SpectraBase Compound ID 9Z2KfaPXdYd
InChI InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey OVBFMEVBMNZIBR-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 HYkd6d1tKN6
Name Pentanoic acid, 2-methyl-
CAS Registry Number 97-61-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey OVBFMEVBMNZIBR-UHFFFAOYSA-N
Molecular Weight 116.160 g/mol
SMILES OC(C(C)CCC)=O
SPLASH splash10-00dl-9000000000-7d8b254f6c6a64036c6b
Synonyms Valeric acid, 2-methyl- .alpha.-Methylvaleric acid 2-Methyl-n-valeric acid 2-Methylpentanoic acid 2-Methylvaleric acid 2-Pentanecarboxylic acid Kyselina 2-methylvalerova Methylpropylacetic acid N-C3H7CH(CH3)COOH AI3-26042 BRN 1720655 EINECS 202-594-9 FEMA NO. 2754 NSC 8406
Wiley ID 1497749