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5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID MtiSEPF5sj
InChI InChI=1S/C13H12N6S/c1-9-7-11(16-15-9)12-17-18-13(20)19(12)14-8-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)(H,18,20)/b14-8+
InChIKey CBHKPOCPMAWTBU-RIYZIHGNSA-N
Mol Weight 284.34 g/mol
Molecular Formula C13H12N6S
Exact Mass 284.084416 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 57qXtrc7LOa
Name 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-phenylmethylidene]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/C13H12N6S/c1-9-7-11(16-15-9)12-17-18-13(20)19(12)14-8-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)(H,18,20)/b14-8+
InChIKey CBHKPOCPMAWTBU-RIYZIHGNSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10562
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: E00644; Labnumber: GRES-19688; SBI_ID: SBI-010565
Synonyms 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide5-(3-methyl-1H-pyrazol-5-yl)-4-{[phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
Temperature 318 °C