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2-(4-keto-4-methoxy-butanoyl)benzoic acid methyl ester
SpectraBase Compound ID I1L4Ouufbb0
InChI InChI=1S/C13H14O5/c1-17-12(15)8-7-11(14)9-5-3-4-6-10(9)13(16)18-2/h3-6H,7-8H2,1-2H3
InChIKey OFXUCBLPKVBJOR-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHERnsh50Fi
Name 2-(4-keto-4-methoxy-butanoyl)benzoic acid methyl ester
Alternate Name(s) 2-(4-Methoxy-1,4-dioxobutyl)benzoic acid methyl ester Benzenebutanoic acid, 2-(methoxycarbonyl)-.gamma.-oxo-, methyl ester Methyl 2-(4-methoxy-4-oxidanylidene-butanoyl)benzoate Methyl 2-(4-methoxy-4-oxo-butanoyl)benzoate
CAS Registry Number 54103-08-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-17-12(15)8-7-11(14)9-5-3-4-6-10(9)13(16)18-2/h3-6H,7-8H2,1-2H3
InChIKey OFXUCBLPKVBJOR-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES c1(ccccc1C(=O)OC)C(=O)CCC(=O)OC
SPLASH splash10-03di-2900000000-37128fa5ddbca2e62912
Source of Spectrum E-51-1015-1
Wiley ID 1253063