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(E)-4-keto-4-phenyl-but-2-enoic acid tert-butyl ester
SpectraBase Compound ID 9aTLOaXPcXM
InChI InChI=1S/C14H16O3/c1-14(2,3)17-13(16)10-9-12(15)11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
InChIKey CASHMVYHMILDBE-MDZDMXLPSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HfsQ3yqxT3
Name (E)-4-keto-4-phenyl-but-2-enoic acid tert-butyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-14(2,3)17-13(16)10-9-12(15)11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
InChIKey CASHMVYHMILDBE-MDZDMXLPSA-N
Molecular Weight 232.279 g/mol
SMILES C(\C=C\C(=O)c1ccccc1)(OC(C)(C)C)=O
SPLASH splash10-0a4i-9000000000-30e8fea9133f6c0ae5b3
Source of Spectrum PS-0-2842-33
Synonyms (E)-4-oxo-4-phenyl-2-butenoic acid tert-butyl ester tert-butyl (E)-4-oxidanylidene-4-phenyl-but-2-enoate tert-butyl (E)-4-oxo-4-phenyl-but-2-enoate
Wiley ID 786762