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1,4,5-TRIPHENYL-1,3,4-TRIAZOLIUM-2-THIOL-CHLORIDE
SpectraBase Compound ID 8xCymeP3nxx
InChI InChI=1S/C20H15N3S.ClH/c24-20-21-23(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)22(20)17-12-6-2-7-13-17;/h1-15H;1H
InChIKey OPFFRSQELICNJA-UHFFFAOYSA-N
Mol Weight 365.88 g/mol
Molecular Formula C20H16ClN3S
Exact Mass 365.075346 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CiRPXSqgnLX
Name 1,4,5-TRIPHENYL-1,3,4-TRIAZOLE-2-THIOL-CHLORIDE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16ClN3S
InChI InChI=1S/C20H15N3S.ClH/c24-20-21-23(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)22(20)17-12-6-2-7-13-17;/h1-15H;1H
InChIKey OPFFRSQELICNJA-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 365.880 g/mol
Solvent DMSO-D6
Source File Reference UWBT12468