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N-(3-CYANO-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHEN-2-YL)-2-(4-METHYL-3-PHENYL-3H-THIAZOL-2-YLIDENE)-N-PHENYL-MALONAMIDE
SpectraBase Compound ID BUTKCHuqUau
InChI InChI=1S/2C28H24N4O2S2/c2*1-18-17-35-28(32(18)20-12-6-3-7-13-20)24(25(33)30-19-10-4-2-5-11-19)26(34)31-27-22(16-29)21-14-8-9-15-23(21)36-27/h2*2-7,10-13,17H,8-9,14-15H2,1H3,(H,30,33)(H,31,34)/b2*28-24-
InChIKey RQXWGLZJVCXUOI-SRFVVUKTSA-N
Mol Weight 1025.29 g/mol
Molecular Formula C56H48N8O4S4
Exact Mass 1024.268137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jHCn6ddl58
Name N-(3-CYANO-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHEN-2-YL)-2-(4-METHYL-3-PHENYL-3H-THIAZOL-2-YLIDENE)-N-PHENYL-MALONAMIDE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H48N8O4S4
InChI InChI=1S/2C28H24N4O2S2/c2*1-18-17-35-28(32(18)20-12-6-3-7-13-20)24(25(33)30-19-10-4-2-5-11-19)26(34)31-27-22(16-29)21-14-8-9-15-23(21)36-27/h2*2-7,10-13,17H,8-9,14-15H2,1H3,(H,30,33)(H,31,34)/b2*28-24-
InChIKey RQXWGLZJVCXUOI-SRFVVUKTSA-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 1025.288 g/mol
Sample ID 488
Solvent DMSO-D6