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p-{[4-amino-3-cyano-5-(p-phenylbenzoyl)-2-thienyl]amino}benzoic acid, ethyl ester
SpectraBase Compound ID 8uxqa2nDFtZ
InChI InChI=1S/C27H21N3O3S/c1-2-33-27(32)20-12-14-21(15-13-20)30-26-22(16-28)23(29)25(34-26)24(31)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15,30H,2,29H2,1H3
InChIKey LKDZHYRMDKOYID-UHFFFAOYSA-N
Mol Weight 467.54 g/mol
Molecular Formula C27H21N3O3S
Exact Mass 467.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FIcQsSMSVcm
Name p-{[4-AMINO-3-CYANO-5-(p-PHENYLBENZOYL)-2-THIENYL]AMINO}BENZOIC ACID, ETHYLESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N3O3S
InChI InChI=1S/C27H21N3O3S/c1-2-33-27(32)20-12-14-21(15-13-20)30-26-22(16-28)23(29)25(34-26)24(31)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15,30H,2,29H2,1H3
InChIKey LKDZHYRMDKOYID-UHFFFAOYSA-N
Melting Point 224-226C
Molecular Weight 467.55
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, P-//4-AMINO-3-CYANO- 5-/P-PHENYLBENZOYL/-2-THIENYL/AMINO/-, ETHYL ESTER