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Ethyl 2-benzylacetoacetate
SpectraBase Compound ID 6rTZeYVlNTG
InChI InChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
InChIKey XDWQYMXQMNUWID-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZrni0UKHhQ
Name 2-benzyl-3-keto-butyric acid ethyl ester
CAS Registry Number 620-79-1
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
InChIKey XDWQYMXQMNUWID-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES C(C(=O)OCC)(C(=O)C)Cc1ccccc1
SPLASH splash10-004i-0910000000-2dbcc0c5e177065d3e07
Source of Spectrum SK-24-113-2
Synonyms 3-oxo-2-(phenylmethyl)butanoic acid ethyl ester Benzenepropanoic acid, .alpha.-acetyl-, ethyl ester Ethyl .alpha.-acetylhydrocinnamate Ethyl .alpha.-benzylacetoacetate Ethyl 2-acetyl-3-phenylpropionate ethyl 2-benzyl-3-oxo-butanoate Ethyl 2-benzylacetoacetate ethyl 3-oxidanylidene-2-(phenylmethyl)butanoate Ethyl benzylacetoacetate Hydrocinnamic acid, .alpha.-acetyl-, ethyl ester
Wiley ID 866084