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4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 6aUo5hdBoFA
InChI InChI=1S/C13H10BrFN6S/c1-7-4-11(18-17-7)12-19-20-13(22)21(12)16-6-8-5-9(14)2-3-10(8)15/h2-6H,1H3,(H,17,18)(H,20,22)/b16-6+
InChIKey SJCAOUNKSGABPI-OMCISZLKSA-N
Mol Weight 381.23 g/mol
Molecular Formula C13H10BrFN6S
Exact Mass 379.985507 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8JmBsaj20Fs
Name 4-{[(E)-(5-bromo-2-fluorophenyl)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/C13H10BrFN6S/c1-7-4-11(18-17-7)12-19-20-13(22)21(12)16-6-8-5-9(14)2-3-10(8)15/h2-6H,1H3,(H,17,18)(H,20,22)/b16-6+
InChIKey SJCAOUNKSGABPI-OMCISZLKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10542
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: E00598; Labnumber: GRES-16567; SBI_ID: SBI-010545
Synonyms 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-fluorophenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C