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3-((E)-{[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
SpectraBase Compound ID 1n3seTqVgfv
InChI InChI=1S/C13H12N6OS/c1-8-5-11(16-15-8)12-17-18-13(21)19(12)14-7-9-3-2-4-10(20)6-9/h2-7,20H,1H3,(H,15,16)(H,18,21)/b14-7+
InChIKey WKGQDBABIBUEHE-VGOFMYFVSA-N
Mol Weight 300.34 g/mol
Molecular Formula C13H12N6OS
Exact Mass 300.07933 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1t2gBdolesF
Name 3-((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/C13H12N6OS/c1-8-5-11(16-15-8)12-17-18-13(21)19(12)14-7-9-3-2-4-10(20)6-9/h2-7,20H,1H3,(H,15,16)(H,18,21)/b14-7+
InChIKey WKGQDBABIBUEHE-VGOFMYFVSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4118
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: E00800; Labnumber: GRES-30284; SBI_ID: SBI-004120
Synonyms 3-({[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature 308 °C