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4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 7mxRKArCg7V
InChI InChI=1S/C15H9Cl2FN4S/c16-11-5-2-1-4-9(11)14-20-21-15(23)22(14)19-8-10-12(17)6-3-7-13(10)18/h1-8H,(H,21,23)/b19-8+
InChIKey PNBZGQAFMLVOJE-UFWORHAWSA-N
Mol Weight 367.23 g/mol
Molecular Formula C15H9Cl2FN4S
Exact Mass 365.990901 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9AJ07GgMEp1
Name 4-{[(E)-(2-chloro-6-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/C15H9Cl2FN4S/c16-11-5-2-1-4-9(11)14-20-21-15(23)22(14)19-8-10-12(17)6-3-7-13(10)18/h1-8H,(H,21,23)/b19-8+
InChIKey PNBZGQAFMLVOJE-UFWORHAWSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16762
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: D24886; Labnumber: GRES-02899; SBI_ID: SBI-016765
Synonyms 4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(2-chloro-6-fluorophenyl)methylidene]amino}-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Temperature 315 °C