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4-PHENYL-5-(4-NITRO-CINNAMOYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
SpectraBase Compound ID 1RL4mZiGFul
InChI InChI=1S/C22H17N4O2S.ClH/c27-26(28)20-14-11-17(12-15-20)13-16-21-25(19-9-5-2-6-10-19)24-22(29-21)23-18-7-3-1-4-8-18;/h1-16H,(H,23,24);1H/q+1;/p-1/b16-13+;
InChIKey MNQXCJLZMYMTSC-ZUQRMPMESA-M
Mol Weight 436.92 g/mol
Molecular Formula C22H17ClN4O2S
Exact Mass 436.076075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IF5VCPyvwMJ
Name 4-PHENYL-5-(4-NITRO-CINNAMOYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
Compound Number 7G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17ClN4O2S
InChI InChI=1S/C22H17N4O2S.ClH/c27-26(28)20-14-11-17(12-15-20)13-16-21-25(19-9-5-2-6-10-19)24-22(29-21)23-18-7-3-1-4-8-18;/h1-16H,(H,23,24);1H/q+1;/p-1/b16-13+;
InChIKey MNQXCJLZMYMTSC-ZUQRMPMESA-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 436.916 g/mol
Solvent CDCl3
Source File Reference UWSI24856