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p-{[4-amino-5-(p-bromobenzoyl)-3-cyano-2-thienyl]amino}benzoic acid, ethyl ester
SpectraBase Compound ID HPnuw3Kgipb
InChI InChI=1S/C21H16BrN3O3S/c1-2-28-21(27)13-5-9-15(10-6-13)25-20-16(11-23)17(24)19(29-20)18(26)12-3-7-14(22)8-4-12/h3-10,25H,2,24H2,1H3
InChIKey HKWFRRXKDSRFBN-UHFFFAOYSA-N
Mol Weight 470.34 g/mol
Molecular Formula C21H16BrN3O3S
Exact Mass 469.009576 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5nLxvUgULIU
Name p-{[4-AMINO-5-(p-BROMOBENZOYL)-3-CYANO-2-THIENYL]AMINO}BENZOIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16BrN3O3S
InChI InChI=1S/C21H16BrN3O3S/c1-2-28-21(27)13-5-9-15(10-6-13)25-20-16(11-23)17(24)19(29-20)18(26)12-3-7-14(22)8-4-12/h3-10,25H,2,24H2,1H3
InChIKey HKWFRRXKDSRFBN-UHFFFAOYSA-N
Melting Point 171-174C
Molecular Weight 470.35
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, P-//4-AMINO- 5-/P-BROMOBENZOYL/-3-CYANO-2-THIENYL/AMINO/-, ETHYL ESTER