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4-bromo-2-((E)-{[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
SpectraBase Compound ID 3TSMvmlXqSH
InChI InChI=1S/C13H11BrN6OS/c1-7-4-10(17-16-7)12-18-19-13(22)20(12)15-6-8-5-9(14)2-3-11(8)21/h2-6,21H,1H3,(H,16,17)(H,19,22)/b15-6+
InChIKey JYJCNIPRLALXIY-GIDUJCDVSA-N
Mol Weight 379.24 g/mol
Molecular Formula C13H11BrN6OS
Exact Mass 377.989843 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5EoRgx36k1U
Name 4-bromo-2-((E)-{[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
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/C13H11BrN6OS/c1-7-4-10(17-16-7)12-18-19-13(22)20(12)15-6-8-5-9(14)2-3-11(8)21/h2-6,21H,1H3,(H,16,17)(H,19,22)/b15-6+
InChIKey JYJCNIPRLALXIY-GIDUJCDVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10546
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: E00604; Labnumber: GRES-17006; SBI_ID: SBI-010549
Synonyms 4-bromo-2-({[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature 318 °C