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1,4-DIPHENYL-5-(4-NITROPHENYL)-1,3,4-TRIAZOLE-2-THIOL-CHLORIDE

View entire compound with spectra: 1 NMR

1,4-DIPHENYL-5-(4-NITROPHENYL)-1,3,4-TRIAZOLE-2-THIOL-CHLORIDE
SpectraBase Compound ID 4y7fDHZhsYX
InChI InChI=1S/C20H14N4O2S.ClH/c25-24(26)18-13-11-15(12-14-18)19-22(16-7-3-1-4-8-16)20(27)21-23(19)17-9-5-2-6-10-17;/h1-14H;1H
InChIKey NBLXFVMKKQFJHY-UHFFFAOYSA-N
Mol Weight 410.88 g/mol
Molecular Formula C20H15ClN4O2S
Exact Mass 410.060425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEEIf1unfUO
Name 1,4-DIPHENYL-5-(4-NITROPHENYL)-1,3,4-TRIAZOLE-2-THIOL-CHLORIDE
Compound Number 5C
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15ClN4O2S
InChI InChI=1S/C20H14N4O2S.ClH/c25-24(26)18-13-11-15(12-14-18)19-22(16-7-3-1-4-8-16)20(27)21-23(19)17-9-5-2-6-10-17;/h1-14H;1H
InChIKey NBLXFVMKKQFJHY-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 410.878 g/mol
Solvent DMSO-D6
Source File Reference UWBT12470