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Heptanoic acid, 4-oxo-, methyl ester
SpectraBase Compound ID AqVfiHvxfBz
InChI InChI=1S/C8H14O3/c1-3-4-7(9)5-6-8(10)11-2/h3-6H2,1-2H3
InChIKey KSMSPPXRMSLFKO-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlRU3rEVIuR
Name Heptanoic acid, 4-oxo-, methyl ester
CAS Registry Number 49770-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-3-4-7(9)5-6-8(10)11-2/h3-6H2,1-2H3
InChIKey KSMSPPXRMSLFKO-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES C(CC(OC)=O)C(CCC)=O
SPLASH splash10-002f-9100000000-3ed7571fab6e2b80406e
Source of Spectrum T-67-1114-0
Synonyms 4-ketoenanthic acid methyl ester 4-Oxoheptanoic acid methyl ester Methyl 4-oxidanylideneheptanoate Methyl 4-oxoheptanoate
Wiley ID 12193