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4-PHENYL-5-CINNAMOYL-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
SpectraBase Compound ID Ft3cZ8gxyxO
InChI InChI=1S/C22H18N3S.ClH/c1-4-10-18(11-5-1)16-17-21-25(20-14-8-3-9-15-20)24-22(26-21)23-19-12-6-2-7-13-19;/h1-17H,(H,23,24);1H/q+1;/p-1/b17-16+;
InChIKey PBCOUQRAAADUIJ-CMBBICFISA-M
Mol Weight 391.92 g/mol
Molecular Formula C22H18ClN3S
Exact Mass 391.090996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHjBqZfWfdW
Name 4-PHENYL-5-CINNAMOYL-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18ClN3S
InChI InChI=1S/C22H18N3S.ClH/c1-4-10-18(11-5-1)16-17-21-25(20-14-8-3-9-15-20)24-22(26-21)23-19-12-6-2-7-13-19;/h1-17H,(H,23,24);1H/q+1;/p-1/b17-16+;
InChIKey PBCOUQRAAADUIJ-CMBBICFISA-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 391.918 g/mol
Solvent CDCl3
Source File Reference UWSI24850