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6-oxo-2-Methyl-heptanoic-acid-methylester

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

6-oxo-2-Methyl-heptanoic-acid-methylester
SpectraBase Compound ID AKGmyTrRInm
InChI InChI=1S/C9H16O3/c1-7(9(11)12-3)5-4-6-8(2)10/h7H,4-6H2,1-3H3
InChIKey HFLTZADIZWIVCK-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4oK79gsrfR
Name Methyl 2-methyl-6-oxoheptanoate
CAS Registry Number 2570-90-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-7(9(11)12-3)5-4-6-8(2)10/h7H,4-6H2,1-3H3
InChIKey HFLTZADIZWIVCK-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C(=O)(C(CCCC(C)=O)C)OC
SPLASH splash10-00ko-9300000000-e0a117dfbbc283c5a64f
Synonyms 2-Methyl-6-oxoheptanoic acid methyl ester 6-keto-2-methyl-enanthic acid methyl ester Heptanoic acid, 2-methyl-6-oxo-, methyl ester Methyl 2-methyl-6-oxidanylidene-heptanoate
Wiley ID 1489902