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5-(5-(PARA-CHLOROPHENYL)-TETRAZOL-2-YL-METHYL)-4-PHENYL-S-TRIAZOLE-3-THIOL

View entire compound with spectra: 2 NMR

5-(5-(PARA-CHLOROPHENYL)-TETRAZOL-2-YL-METHYL)-4-PHENYL-S-TRIAZOLE-3-THIOL
SpectraBase Compound ID FShGx3A53qX
InChI InChI=1S/C16H12ClN7S/c17-12-8-6-11(7-9-12)15-19-22-23(21-15)10-14-18-20-16(25)24(14)13-4-2-1-3-5-13/h1-9H,10H2,(H,20,25)
InChIKey TVMQJGACXCUUPR-UHFFFAOYSA-N
Mol Weight 369.83 g/mol
Molecular Formula C16H12ClN7S
Exact Mass 369.056342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2wKL2kSfJw4
Name 5-([5-P-Chloro-phenyl-2-tetrazolyl]-methyl)-4-phenyl-1,2,4-triazole-3-thiol
CAS Registry Number 75167-82-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H12ClN7S
InChI InChI=1S/C16H12ClN7S/c17-12-8-6-11(7-9-12)15-19-22-23(21-15)10-14-18-20-16(25)24(14)13-4-2-1-3-5-13/h1-9H,10H2,(H,20,25)
InChIKey TVMQJGACXCUUPR-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference P.J. Kothari, V.I. Stenberg, S.P.Singh, J. Heterocycl. Chem. 17, 637 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6