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4H-1,2,4-triazole-3-thiol, 5-[(4-chlorophenyl)methyl]-4-(2,5-dimethoxyphenyl)-
SpectraBase Compound ID CB46IvSdsW1
InChI InChI=1S/C17H16ClN3O2S/c1-22-13-7-8-15(23-2)14(10-13)21-16(19-20-17(21)24)9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,20,24)
InChIKey TYTPTWHKGWLFCB-UHFFFAOYSA-N
Mol Weight 361.85 g/mol
Molecular Formula C17H16ClN3O2S
Exact Mass 361.065176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HROw6lxw97k
Name 4H-1,2,4-triazole-3-thiol, 5-[(4-chlorophenyl)methyl]-4-(2,5-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/C17H16ClN3O2S/c1-22-13-7-8-15(23-2)14(10-13)21-16(19-20-17(21)24)9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,20,24)
InChIKey TYTPTWHKGWLFCB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_317
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: F03921; Labnumber: NNOBK-8340
Temperature 308 °C