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4-PHENYL-5-(4-CYANO-CINNAMOYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
SpectraBase Compound ID YKaLKCnNLb
InChI InChI=1S/C23H17N4S.ClH/c24-17-19-13-11-18(12-14-19)15-16-22-27(21-9-5-2-6-10-21)26-23(28-22)25-20-7-3-1-4-8-20;/h1-16H,(H,25,26);1H/q+1;/p-1/b16-15+;
InChIKey FGWMGYQHEPHKOV-GEEYTBSJSA-M
Mol Weight 416.93 g/mol
Molecular Formula C23H17ClN4S
Exact Mass 416.086245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlRLD6SOmTw
Name 4-PHENYL-5-(4-CYANO-CINNAMOYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H17ClN4S
InChI InChI=1S/C23H17N4S.ClH/c24-17-19-13-11-18(12-14-19)15-16-22-27(21-9-5-2-6-10-21)26-23(28-22)25-20-7-3-1-4-8-20;/h1-16H,(H,25,26);1H/q+1;/p-1/b16-15+;
InChIKey FGWMGYQHEPHKOV-GEEYTBSJSA-M
Literature Reference Author A.C.S.D.SANTOS,A.ECHEVARRIA
Literature Reference Citation MAGN.RES.CHEM.,39,182(2001)
Literature Reference DOI 10.1002/mrc.812
Molecular Weight 416.928 g/mol
Solvent CDCl3
Source File Reference UWSI24855