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4-PHENYL-5-(3-METHOXY-CINNAMOYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
SpectraBase Compound ID 6dCT77KDs8x
InChI InChI=1S/C23H20N3OS.ClH/c1-27-21-14-8-9-18(17-21)15-16-22-26(20-12-6-3-7-13-20)25-23(28-22)24-19-10-4-2-5-11-19;/h2-17H,1H3,(H,24,25);1H/q+1;/p-1/b16-15+;
InChIKey FDJNRRWTFTUKNM-GEEYTBSJSA-M
Mol Weight 421.95 g/mol
Molecular Formula C23H20ClN3OS
Exact Mass 421.101561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 79B4WdWdc8L
Name 4-PHENYL-5-(3-METHOXY-CINNAMOYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
Compound Number 7K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20ClN3OS
InChI InChI=1S/C23H20N3OS.ClH/c1-27-21-14-8-9-18(17-21)15-16-22-26(20-12-6-3-7-13-20)25-23(28-22)24-19-10-4-2-5-11-19;/h2-17H,1H3,(H,24,25);1H/q+1;/p-1/b16-15+;
InChIKey FDJNRRWTFTUKNM-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 421.944 g/mol
Solvent CDCl3
Source File Reference UWSI24860