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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2K1fUgZSGAN
Name Pentanoic acid, 3-methyl-
Alternate Name(s) .beta.-Methylvaleric acid Valeric acid, 3-methyl- 2-Methylbutane-1-carboxylic acid 3 methyl valeric acid 3-Methyl pentanoic acid 3-Methyl-n-valeric acid Butylacetic acid, sec- 3-Methylpentanoic acid EINECS 203-297-7 FEMA NO. 3437
CAS Registry Number 105-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey IGIDLTISMCAULB-UHFFFAOYSA-N
Molecular Weight 116.160 g/mol
SMILES OC(CC(C)CC)=O
SPLASH splash10-03di-9000000000-1b24ead34456a0c4fbe5
Source of Spectrum PR-1123-0-0
Wiley ID 1125444