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Hexanoic acid, 3,5-dioxo-, methyl ester
SpectraBase Compound ID 3FtuADEIVwc
InChI InChI=1S/C7H10O4/c1-5(8)3-6(9)4-7(10)11-2/h3-4H2,1-2H3
InChIKey JUKCTOHWTHYRPF-UHFFFAOYSA-N
Mol Weight 158.15 g/mol
Molecular Formula C7H10O4
Exact Mass 158.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwY07WDMA5D
Name Hexanoic acid, 3,5-dioxo-, methyl ester
Alternate Name(s) 3,5-Diketohexanoic acid methyl ester 3,5-Dioxohexanoic acid methyl ester Methyl 3,5-bis(oxidanylidene)hexanoate Methyl 3,5-dioxohexanoate
CAS Registry Number 29736-80-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O4
InChI InChI=1S/C7H10O4/c1-5(8)3-6(9)4-7(10)11-2/h3-4H2,1-2H3
InChIKey JUKCTOHWTHYRPF-UHFFFAOYSA-N
Molecular Weight 158.153 g/mol
SMILES CC(CC(CC(OC)=O)=O)=O
SPLASH splash10-0006-9100000000-275f2482d4301c897e5d
Source of Spectrum I-52-1346-11
Wiley ID 1155006