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p-{[4-amino-3-cyano-5-(2,4-dimethylbenzoyl)-2-thienyl]amino}benzoic acid, ethyl ester
SpectraBase Compound ID 6OPU1A75xUg
InChI InChI=1S/C23H21N3O3S/c1-4-29-23(28)15-6-8-16(9-7-15)26-22-18(12-24)19(25)21(30-22)20(27)17-10-5-13(2)11-14(17)3/h5-11,26H,4,25H2,1-3H3
InChIKey BBYXPUMZNBJZIU-UHFFFAOYSA-N
Mol Weight 419.5 g/mol
Molecular Formula C23H21N3O3S
Exact Mass 419.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIBqJIzGcXs
Name p-{[4-amino-3-cyano-5-(2,4-dimethylbenzoyl)-2-thienyl]amino}benzoic acid, ethyl ester
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Formula C23H21N3O3S
InChI InChI=1S/C23H21N3O3S/c1-4-29-23(28)15-6-8-16(9-7-15)26-22-18(12-24)19(25)21(30-22)20(27)17-10-5-13(2)11-14(17)3/h5-11,26H,4,25H2,1-3H3
InChIKey BBYXPUMZNBJZIU-UHFFFAOYSA-N
Instrument Name Varian A-60D
Sadtler NMR Number 21049M
Solvent Polysol