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3-keto-3-phenyl-propionic acid methyl ester
SpectraBase Compound ID 3BTossJtXpB
InChI InChI=1S/C10H10O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey WRGLZAJBHUOPFO-UHFFFAOYSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhO51tHobKv
Name 3-keto-3-phenyl-propionic acid methyl ester
Alternate Name(s) 3-oxo-3-phenylpropanoic acid methyl ester methyl 3-oxidanylidene-3-phenyl-propanoate methyl 3-oxo-3-phenyl-propanoate Methyl benzoylacetate
CAS Registry Number 614-27-7
Comments Less than 3 mono-isotopic peaks
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Formula C10H10O3
InChI InChI=1S/C10H10O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey WRGLZAJBHUOPFO-UHFFFAOYSA-N
Molecular Weight 178.187 g/mol
SMILES C(CC(OC)=O)(=O)c1ccccc1
SPLASH splash10-0a6r-0900000000-917e13e02be94fe53a4b
Source of Spectrum C-109-7493-0
Wiley ID 1173905