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1,4-DIPHENYL-5-(4-METHOXYPHENYL)-1,3,4-TRIAZOLE-2-THIOL-CHLORIDE
SpectraBase Compound ID 7eOIoYZHM8F
InChI InChI=1S/C21H17N3OS.ClH/c1-25-19-14-12-16(13-15-19)20-23(17-8-4-2-5-9-17)21(26)22-24(20)18-10-6-3-7-11-18;/h2-15H,1H3;1H
InChIKey KWLFMOPITUDJAM-UHFFFAOYSA-N
Mol Weight 395.91 g/mol
Molecular Formula C21H18ClN3OS
Exact Mass 395.085911 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D0P9YSyPlCF
Name 1,4-DIPHENYL-5-(4-METHOXYPHENYL)-1,3,4-TRIAZOLE-2-THIOL-CHLORIDE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18ClN3OS
InChI InChI=1S/C21H17N3OS.ClH/c1-25-19-14-12-16(13-15-19)20-23(17-8-4-2-5-9-17)21(26)22-24(20)18-10-6-3-7-11-18;/h2-15H,1H3;1H
InChIKey KWLFMOPITUDJAM-UHFFFAOYSA-N
Literature Reference Author M.A.M.MACIEL,A.ECHEVARRIA,V.M.RUMJANEK
Literature Reference Citation QUIM.NOVA,21,569(1998)
Literature Reference DOI 10.1590/s0100-40421998000500007
Molecular Weight 395.906 g/mol
Solvent DMSO-D6
Source File Reference UWBT12469