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4-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 4t561kvRj7Z
InChI InChI=1S/C13H10Cl2N6S/c1-7-5-11(18-17-7)12-19-20-13(22)21(12)16-6-8-9(14)3-2-4-10(8)15/h2-6H,1H3,(H,17,18)(H,20,22)/b16-6+
InChIKey YCGXUBNYZROXKV-OMCISZLKSA-N
Mol Weight 353.23 g/mol
Molecular Formula C13H10Cl2N6S
Exact Mass 352.006471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1E6BceJEWZo
Name 4-{[(E)-(2,6-dichlorophenyl)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/C13H10Cl2N6S/c1-7-5-11(18-17-7)12-19-20-13(22)21(12)16-6-8-9(14)3-2-4-10(8)15/h2-6H,1H3,(H,17,18)(H,20,22)/b16-6+
InChIKey YCGXUBNYZROXKV-OMCISZLKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10484
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: E00501; Labnumber: GRES-09193; SBI_ID: SBI-010487
Synonyms 4-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(2,6-dichlorophenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C