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4-((E)-{[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-1,3-benzenediol
SpectraBase Compound ID 8LM59x9qo0i
InChI InChI=1S/C13H12N6O2S/c1-7-4-10(16-15-7)12-17-18-13(22)19(12)14-6-8-2-3-9(20)5-11(8)21/h2-6,20-21H,1H3,(H,15,16)(H,18,22)/b14-6+
InChIKey CROACWHYWNKKAP-MKMNVTDBSA-N
Mol Weight 316.34 g/mol
Molecular Formula C13H12N6O2S
Exact Mass 316.074245 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID pC26iiXTxE
Name 4-((E)-{[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-1,3-benzenediol
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/C13H12N6O2S/c1-7-4-10(16-15-7)12-17-18-13(22)19(12)14-6-8-2-3-9(20)5-11(8)21/h2-6,20-21H,1H3,(H,15,16)(H,18,22)/b14-6+
InChIKey CROACWHYWNKKAP-MKMNVTDBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10591
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: E00696; Labnumber: GRES-23285; SBI_ID: SBI-010594
Synonyms 4-({[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-1,3-benzenediol
Temperature 318 °C