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4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 9heBA6aDqt2
InChI InChI=1S/C13H10ClN7O2S/c1-7-4-11(17-16-7)12-18-19-13(24)20(12)15-6-8-5-9(21(22)23)2-3-10(8)14/h2-6H,1H3,(H,16,17)(H,19,24)/b15-6+
InChIKey AOQJSHAJGFWZGF-GIDUJCDVSA-N
Mol Weight 363.78 g/mol
Molecular Formula C13H10ClN7O2S
Exact Mass 363.030521 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AWdzLcX7178
Name 4-{[(E)-(2-chloro-5-nitrophenyl)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/C13H10ClN7O2S/c1-7-4-11(17-16-7)12-18-19-13(24)20(12)15-6-8-5-9(21(22)23)2-3-10(8)14/h2-6H,1H3,(H,16,17)(H,19,24)/b15-6+
InChIKey AOQJSHAJGFWZGF-GIDUJCDVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10589
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: E00693; Labnumber: GRES-23148; SBI_ID: SBI-010592
Synonyms 4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(2-chloro-5-nitrophenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C