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2-(4-chlorobenzyl)-3-keto-butyric acid ethyl ester
SpectraBase Compound ID 39BbpcgiJ2r
InChI InChI=1S/C13H15ClO3/c1-3-17-13(16)12(9(2)15)8-10-4-6-11(14)7-5-10/h4-7,12H,3,8H2,1-2H3
InChIKey HQZNZKQSSZWNEB-UHFFFAOYSA-N
Mol Weight 254.71 g/mol
Molecular Formula C13H15ClO3
Exact Mass 254.070972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BY1FShB45H
Name 2-(4-chlorobenzyl)-3-keto-butyric acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C13H15ClO3
InChI InChI=1S/C13H15ClO3/c1-3-17-13(16)12(9(2)15)8-10-4-6-11(14)7-5-10/h4-7,12H,3,8H2,1-2H3
InChIKey HQZNZKQSSZWNEB-UHFFFAOYSA-N
Molecular Weight 254.713 g/mol
SMILES C(C(=O)OCC)(C(=O)C)Cc1ccc(cc1)Cl
SPLASH splash10-03di-0090000000-d8b55fa0169ac4d33680
Source of Spectrum SK-24-113-2
Synonyms 2-[(4-chlorophenyl)methyl]-3-oxobutanoic acid ethyl ester ethyl 2-(4-chlorobenzyl)-3-oxobutanoate ethyl 2-[(4-chlorophenyl)methyl]-3-oxidanylidene-butanoate ethyl 2-[(4-chlorophenyl)methyl]-3-oxo-butanoate
Wiley ID 866082