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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-(5-bromo-3-pyridinyl)-

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-(5-bromo-3-pyridinyl)-
SpectraBase Compound ID FxzSctnzVHq
InChI InChI=1S/C14H9BrN4O2S/c15-9-3-8(5-16-6-9)13-17-18-14(22)19(13)10-1-2-11-12(4-10)21-7-20-11/h1-6H,7H2,(H,18,22)
InChIKey FSOKBFMZPKQFRC-UHFFFAOYSA-N
Mol Weight 377.22 g/mol
Molecular Formula C14H9BrN4O2S
Exact Mass 375.96296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JkNXpCgwpXa
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-(5-bromo-3-pyridinyl)-
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/C14H9BrN4O2S/c15-9-3-8(5-16-6-9)13-17-18-14(22)19(13)10-1-2-11-12(4-10)21-7-20-11/h1-6H,7H2,(H,18,22)
InChIKey FSOKBFMZPKQFRC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9801
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: F36329; Labnumber: NNOBK-9748