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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-[(4-chlorophenyl)methyl]-
SpectraBase Compound ID Ex128mx2ERB
InChI InChI=1S/C17H14ClN3O2S/c18-13-4-1-11(2-5-13)8-16-19-20-17(24)21(16)9-12-3-6-14-15(7-12)23-10-22-14/h1-7H,8-10H2,(H,20,24)
InChIKey SWDFFFAOIKPNFM-UHFFFAOYSA-N
Mol Weight 359.83 g/mol
Molecular Formula C17H14ClN3O2S
Exact Mass 359.049526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CONWSJ7T3zs
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-[(4-chlorophenyl)methyl]-
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/C17H14ClN3O2S/c18-13-4-1-11(2-5-13)8-16-19-20-17(24)21(16)9-12-3-6-14-15(7-12)23-10-22-14/h1-7H,8-10H2,(H,20,24)
InChIKey SWDFFFAOIKPNFM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6023
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: F26749; Labnumber: NNOBK-9331