5-(2-Chloro-benzylsulfanylmethyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol

SpectraBase Compound ID	J8TsTBjax4t
InChI	InChI=1S/C16H14ClN3S2/c17-14-9-5-4-6-12(14)10-22-11-15-18-19-16(21)20(15)13-7-2-1-3-8-13/h1-9H,10-11H2,(H,19,21)
InChIKey	HVANVFGWLJJBBD-UHFFFAOYSA-N Google Search
Mol Weight	347.88 g/mol
Molecular Formula	C16H14ClN3S2
Exact Mass	347.031768 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	9NcILjMTfWL
Name	4H-1,2,4-triazole-3-thiol, 5-[[[(2-chlorophenyl)methyl]thio]methyl]-4-phenyl-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	347.031767511 u
Formula	C16H14ClN3S2
InChI	InChI=1S/C16H14ClN3S2/c17-14-9-5-4-6-12(14)10-22-11-15-18-19-16(21)20(15)13-7-2-1-3-8-13/h1-9H,10-11H2,(H,19,21)
InChIKey	HVANVFGWLJJBBD-UHFFFAOYSA-N
Molecular Weight	347.882 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_17481
Solvent	DMSO-d6
Source	Vendor ID: NMR/10321573; Lab Info: LP; Lab Number: LP-2101683