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4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 3dfivXIBRYs
InChI InChI=1S/C15H9BrClFN4S/c16-10-5-6-13(18)9(7-10)8-19-22-14(20-21-15(22)23)11-3-1-2-4-12(11)17/h1-8H,(H,21,23)/b19-8+
InChIKey QDNMTHQASXJLAR-UFWORHAWSA-N
Mol Weight 411.68 g/mol
Molecular Formula C15H9BrClFN4S
Exact Mass 409.940386 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FeMFEkVsJE3
Name 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(2-chlorophenyl)-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/C15H9BrClFN4S/c16-10-5-6-13(18)9(7-10)8-19-22-14(20-21-15(22)23)11-3-1-2-4-12(11)17/h1-8H,(H,21,23)/b19-8+
InChIKey QDNMTHQASXJLAR-UFWORHAWSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16786
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: D24948; Labnumber: GRES-02965; SBI_ID: SBI-016789
Synonyms 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-fluorophenyl)methylidene]amino}-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Temperature 315 °C