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5-BENZOYL-2,4-BIS-PHENYLAMINO-THIOPHENE-3-CARBOXYLIC-ACID-(3-CYANO-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHEN-2-YL)-AMIDE
SpectraBase Compound ID JebREIOg016
InChI InChI=1S/C33H26N4O2S2/c34-20-25-24-18-10-11-19-26(24)40-32(25)37-31(39)27-28(35-22-14-6-2-7-15-22)30(29(38)21-12-4-1-5-13-21)41-33(27)36-23-16-8-3-9-17-23/h1-9,12-17,35-36H,10-11,18-19H2,(H,37,39)
InChIKey NZMMZMQMJYTWTB-UHFFFAOYSA-N
Mol Weight 574.7 g/mol
Molecular Formula C33H26N4O2S2
Exact Mass 574.149718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbZbuA2i1k3
Name 5-BENZOYL-2,4-BIS-PHENYLAMINO-THIOPHENE-3-CARBOXYLIC-ACID-(3-CYANO-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHEN-2-YL)-AMIDE
Compound Number 18B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H26N4O2S2
InChI InChI=1S/C33H26N4O2S2/c34-20-25-24-18-10-11-19-26(24)40-32(25)37-31(39)27-28(35-22-14-6-2-7-15-22)30(29(38)21-12-4-1-5-13-21)41-33(27)36-23-16-8-3-9-17-23/h1-9,12-17,35-36H,10-11,18-19H2,(H,37,39)
InChIKey NZMMZMQMJYTWTB-UHFFFAOYSA-N
Literature Reference Author H.Z.SHAMS,R.M.MOHAREB,M.H.HELAL,A.E.S.MAHMOUND
Literature Reference Citation MOLECULES,16,6271(2011)
Literature Reference DOI 10.3390/molecules16086271
Molecular Weight 574.715 g/mol
Sample ID 487
Solvent DMSO-D6