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4-PHENYL-5-(4-HYDROXY-CINNAMOYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE

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4-PHENYL-5-(4-HYDROXY-CINNAMOYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
SpectraBase Compound ID qCpsAlaso0
InChI InChI=1S/C22H17N3OS.ClH/c26-20-14-11-17(12-15-20)13-16-21-25(19-9-5-2-6-10-19)24-22(27-21)23-18-7-3-1-4-8-18;/h1-16H,(H,23,24);1H
InChIKey BXDPEVJRPSOZLB-UHFFFAOYSA-N
Mol Weight 407.92 g/mol
Molecular Formula C22H18ClN3OS
Exact Mass 407.085911 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1g5M9SFwbTS
Name 4-PHENYL-5-(4-HYDROXY-CINNAMOYL)-1,3,4-THIADIAZOLIUM-2-PHENYLAMINE-CHLORIDE
Compound Number 7H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18ClN3OS
InChI InChI=1S/C22H17N3OS.ClH/c26-20-14-11-17(12-15-20)13-16-21-25(19-9-5-2-6-10-19)24-22(27-21)23-18-7-3-1-4-8-18;/h1-16H,(H,23,24);1H
InChIKey BXDPEVJRPSOZLB-UHFFFAOYSA-N
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 407.917 g/mol
Solvent CDCl3
Source File Reference UWSI24857