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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(2,4-dichlorophenyl)-

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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(2,4-dichlorophenyl)-
SpectraBase Compound ID 9R1gY4nZvwx
InChI InChI=1S/C16H11Cl2N3O2S/c17-10-2-3-11(12(18)6-10)15-19-20-16(24)21(15)7-9-1-4-13-14(5-9)23-8-22-13/h1-6H,7-8H2,(H,20,24)
InChIKey UHZVGBDOLIXZED-UHFFFAOYSA-N
Mol Weight 380.25 g/mol
Molecular Formula C16H11Cl2N3O2S
Exact Mass 378.994903 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DrwizF5iVMA
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(2,4-dichlorophenyl)-
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/C16H11Cl2N3O2S/c17-10-2-3-11(12(18)6-10)15-19-20-16(24)21(15)7-9-1-4-13-14(5-9)23-8-22-13/h1-6H,7-8H2,(H,20,24)
InChIKey UHZVGBDOLIXZED-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6026
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: F26752; Labnumber: NNOBK-9342