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Hexanoic acid, 6-oxo-, methyl ester
SpectraBase Compound ID LmAyGf1nGLy
InChI InChI=1S/C7H12O3/c1-10-7(9)5-3-2-4-6-8/h6H,2-5H2,1H3
InChIKey FDNFXHCDOASWAY-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 61Lo6DXCrkZ
Name Hexanoic acid, 6-oxo-, methyl ester
CAS Registry Number 6654-36-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-10-7(9)5-3-2-4-6-8/h6H,2-5H2,1H3
InChIKey FDNFXHCDOASWAY-UHFFFAOYSA-N
Molecular Weight 144.170 g/mol
SMILES C(=O)(OC)CCCCC=O
SPLASH splash10-0fe0-9500000000-7b9358cee858791271b8
Source of Spectrum F-53-5230-13
Synonyms 5-Carbomethoxy-1-pentanal 6-ketohexanoic acid methyl ester 6-Oxohexanoic acid methyl ester Methyl 5-formylpentanoate Methyl 5-formylvalerate Methyl 6-oxidanylidenehexanoate Methyl 6-oxohexanoate Methyl adipaldehydate EINECS 229-678-8
Wiley ID 801727