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4H-1,2,4-triazole-3-thiol, 4-(4-chlorophenyl)-5-(3,5-dimethoxyphenyl)-

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 4-(4-chlorophenyl)-5-(3,5-dimethoxyphenyl)-
SpectraBase Compound ID yHXqDclX6t
InChI InChI=1S/C16H14ClN3O2S/c1-21-13-7-10(8-14(9-13)22-2)15-18-19-16(23)20(15)12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H,19,23)
InChIKey ADDBGIGHPMALQH-UHFFFAOYSA-N
Mol Weight 347.82 g/mol
Molecular Formula C16H14ClN3O2S
Exact Mass 347.049526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KjaV8gpHA3K
Name 4H-1,2,4-triazole-3-thiol, 4-(4-chlorophenyl)-5-(3,5-dimethoxyphenyl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H14ClN3O2S/c1-21-13-7-10(8-14(9-13)22-2)15-18-19-16(23)20(15)12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H,19,23)
InChIKey ADDBGIGHPMALQH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_337
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F03943; Labnumber: NNOBK-8373
Temperature 308 °C