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3-Oxo-2-(1-phenyl-ethyl)-butyric acid ethyl ester
SpectraBase Compound ID 3CRziojfc0K
InChI InChI=1S/C14H18O3/c1-4-17-14(16)13(11(3)15)10(2)12-8-6-5-7-9-12/h5-10,13H,4H2,1-3H3
InChIKey MNNWWCGUHJRQRB-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXzXh7oQ3tk
Name 3-Oxo-2-(1-phenyl-ethyl)-butyric acid ethyl ester
Alternate Name(s) Ethyl 2-acetyl-3-phenylbutanoate 2-Acetyl-3-phenylbutanoic acid ethyl ester Ethyl 2-acetyl-3-phenyl-butanoate Ethyl 2-ethanoyl-3-phenyl-butanoate
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Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-4-17-14(16)13(11(3)15)10(2)12-8-6-5-7-9-12/h5-10,13H,4H2,1-3H3
InChIKey MNNWWCGUHJRQRB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol070624a
Molecular Weight 234.295 g/mol
SMILES C(C(=O)C)(C(OCC)=O)C(c1ccccc1)C
SPLASH splash10-0aos-0920000000-9523ffdfbe314b3039c0
Source of Spectrum A1-9-2027/SMS5-3af
Wiley ID 1758140