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5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(2-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID G5YqnIKNPNh
InChI InChI=1S/C13H11N7O2S/c1-8-6-10(16-15-8)12-17-18-13(23)19(12)14-7-9-4-2-3-5-11(9)20(21)22/h2-7H,1H3,(H,15,16)(H,18,23)/b14-7+
InChIKey DTSPVZZJWPPQKQ-VGOFMYFVSA-N
Mol Weight 329.34 g/mol
Molecular Formula C13H11N7O2S
Exact Mass 329.069494 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1GzB4xiuGEL
Name 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(2-nitrophenyl)methylidene]amino}-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/C13H11N7O2S/c1-8-6-10(16-15-8)12-17-18-13(23)19(12)14-7-9-4-2-3-5-11(9)20(21)22/h2-7H,1H3,(H,15,16)(H,18,23)/b14-7+
InChIKey DTSPVZZJWPPQKQ-VGOFMYFVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10494
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: E00515; Labnumber: GRES-09778; SBI_ID: SBI-010497
Synonyms 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(2-nitrophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide5-(3-methyl-1H-pyrazol-5-yl)-4-{[(2-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Temperature 318 °C