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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)

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SpectraBase Spectrum ID CaDPXysW9ka
Name 2-Methyl-5-oxohexanoic acid
Alternate Name(s) 2-Methyl-5-oxidanylidene-hexanoic acid 5-keto-2-methyl-hexanoic 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
Wiley ID 1577286