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4-{[(E)-(3-methylphenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID EpSuziqmdF4
InChI InChI=1S/C14H14N6S/c1-9-4-3-5-11(6-9)8-15-20-13(18-19-14(20)21)12-7-10(2)16-17-12/h3-8H,1-2H3,(H,16,17)(H,19,21)/b15-8+
InChIKey RNNDPCSUSLODDH-OVCLIPMQSA-N
Mol Weight 298.37 g/mol
Molecular Formula C14H14N6S
Exact Mass 298.100066 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LEP46mgBY2c
Name 4-{[(E)-(3-methylphenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
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/C14H14N6S/c1-9-4-3-5-11(6-9)8-15-20-13(18-19-14(20)21)12-7-10(2)16-17-12/h3-8H,1-2H3,(H,16,17)(H,19,21)/b15-8+
InChIKey RNNDPCSUSLODDH-OVCLIPMQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10534
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: E00585; Labnumber: GRES-15852; SBI_ID: SBI-010537
Synonyms 4-{[(E)-(3-methylphenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(3-methylphenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C