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3-butenoic acid, 4-[(4-methylphenyl)amino]-2-oxo-4-phenyl-, 1-methylethyl ester, (3Z)-
SpectraBase Compound ID HAIiQ2LTMHC
InChI InChI=1S/C20H21NO3/c1-14(2)24-20(23)19(22)13-18(16-7-5-4-6-8-16)21-17-11-9-15(3)10-12-17/h4-14,21H,1-3H3/b18-13-
InChIKey UWEKUCDZSKHIFZ-AQTBWJFISA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jjaeG7kbWQ
Name 3-Butenoic acid, 4-[(4-methylphenyl)amino]-2-oxo-4-phenyl-, 1-methylethyl ester, (3Z)-
Comments Computed using HOSE algorithm
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Exact Mass 323.152143537 u
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-14(2)24-20(23)19(22)13-18(16-7-5-4-6-8-16)21-17-11-9-15(3)10-12-17/h4-14,21H,1-3H3/b18-13-
InChIKey UWEKUCDZSKHIFZ-AQTBWJFISA-N
SMILES N(\C(=C/C(C(OC(C)C)=O)=O)C1=CC=CC=C1)C1=CC=C(C=C1)C