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Methyl 3-oxohexanoate
SpectraBase Compound ID Kmqr1aW2kIU
InChI InChI=1S/C7H12O3/c1-3-4-6(8)5-7(9)10-2/h3-5H2,1-2H3
InChIKey SJPCQNABHNCLPB-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 FFiQhrZKOdc
Name Hexanoic acid, 3-oxo-, methyl ester
CAS Registry Number 30414-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-3-4-6(8)5-7(9)10-2/h3-5H2,1-2H3
InChIKey SJPCQNABHNCLPB-UHFFFAOYSA-N
Molecular Weight 144.170 g/mol
SMILES CCCC(=O)CC(=O)OC
SPLASH splash10-006x-9200000000-15d15dffb2c1d3a8d415
Source of Spectrum I-50-2708-12
Synonyms 3-ketohexanoic acid methyl ester 3-Oxohexanoic acid methyl ester Methyl 3-oxidanylidenehexanoate Methyl 3-oxocaproate Methyl 3-oxohexanoate EINECS 250-185-9
Wiley ID 1142369