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

*Links on SpectraBase are not permalinks.
2-Methyl-5-oxohexanoic acid
SpectraBase Compound ID m7aDRIrNMr
InChI InChI=1S/C7H12O3/c1-5(7(9)10)3-4-6(2)8/h5H,3-4H2,1-2H3,(H,9,10)
InChIKey RJKCQJNOJDMYEM-UHFFFAOYSA-N
Mol Weight 144.17 g/mol
Molecular Formula C7H12O3
Exact Mass 144.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CaDPXysW9ka
Name 2-Methyl-5-oxohexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-5(7(9)10)3-4-6(2)8/h5H,3-4H2,1-2H3,(H,9,10)
InChIKey RJKCQJNOJDMYEM-UHFFFAOYSA-N
Molecular Weight 144.170 g/mol
SMILES OC(C(CCC(C)=O)C)=O
SPLASH splash10-0a4i-9200000000-39de2efc10250ee3a110
Source of Spectrum AJ-76-182-2
Synonyms 2-Methyl-5-oxidanylidene-hexanoic acid 5-keto-2-methyl-hexanoic acid
Wiley ID 1577286