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4-Methylvaleric acid
SpectraBase Compound ID 4ZJkwL291Nk
InChI InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey FGKJLKRYENPLQH-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 B2viywRclbE
Name 4-Methylvaleric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey FGKJLKRYENPLQH-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 116.160 g/mol
SMILES OC(CCC(C)C)=O
SPLASH splash10-0abc-9000000000-429ac1a1279286f10445
Source of Spectrum SRH-2022-9188-0
Wiley ID 1830859