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Butanoic acid, 4-[(3,4-dimethylphenyl)amino]-4-oxo-, 2-oxo-2-phenylethyl ester
SpectraBase Compound ID K59FrhGSdJY
InChI InChI=1S/C20H21NO4/c1-14-8-9-17(12-15(14)2)21-19(23)10-11-20(24)25-13-18(22)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,23)
InChIKey OGKLZBCYJRTSIY-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HqcS1A7giG6
Name Butanoic acid, 4-[(3,4-dimethylphenyl)amino]-4-oxo-, 2-oxo-2-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.147058156 u
Formula C20H21NO4
InChI InChI=1S/C20H21NO4/c1-14-8-9-17(12-15(14)2)21-19(23)10-11-20(24)25-13-18(22)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,23)
InChIKey OGKLZBCYJRTSIY-UHFFFAOYSA-N
SMILES N(C(=O)CCC(OCC(=O)C=1C=CC=CC1)=O)C=1C=C(C)C(=CC1)C