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Methyl 7-Oxoheptanoate

View entire compound with spectra: 2 MS (GC)

Methyl 7-Oxoheptanoate
SpectraBase Compound ID L08c1F4dZDU
InChI InChI=1S/C8H14O3/c1-11-8(10)6-4-2-3-5-7-9/h7H,2-6H2,1H3
InChIKey NJVFYRBRYZXABC-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 L67joTwqaor
Name Methyl 7-Oxoheptanoate
CAS Registry Number 35376-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-11-8(10)6-4-2-3-5-7-9/h7H,2-6H2,1H3
InChIKey NJVFYRBRYZXABC-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES COC(CCCCCC=O)=O
SPLASH splash10-00xr-6900000000-72a3f31c1300499f5746
Source of Spectrum J-59-1441-0
Synonyms 7-Ketoenanthic acid methyl ester 7-Oxoheptanoic acid methyl ester Methyl 7-oxidanylideneheptanoate
Wiley ID 1155286