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4-Oxooctanoic acid, butyl ester
SpectraBase Compound ID 60RgLvHhArN
InChI InChI=1S/C12H22O3/c1-3-5-7-11(13)8-9-12(14)15-10-6-4-2/h3-10H2,1-2H3
InChIKey KKBGDUHCGSAMPK-UHFFFAOYSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPk6OUz50cs
Name Octanoic acid, 4-oxo-, butyl ester
CAS Registry Number 18688-70-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-3-5-7-11(13)8-9-12(14)15-10-6-4-2/h3-10H2,1-2H3
InChIKey KKBGDUHCGSAMPK-UHFFFAOYSA-N
Molecular Weight 214.305 g/mol
SMILES CCCCC(=O)CCC(=O)OCCCC
SPLASH splash10-0zg1-9600000000-8676e634d36ec3ed4d39
Source of Spectrum H-72-1368-7
Synonyms 4-ketocaprylic acid butyl ester 4-Oxooctanoic acid butyl ester Butyl 4-oxidanylideneoctanoate
Wiley ID 1213618