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2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]acetohydrazide
SpectraBase Compound ID 4phaQMzyWpK
InChI InChI=1S/C23H15BrCl2FN5OS/c24-16-3-10-20(27)15(11-16)12-28-29-21(33)13-34-23-31-30-22(14-1-4-17(25)5-2-14)32(23)19-8-6-18(26)7-9-19/h1-12H,13H2,(H,29,33)/b28-12+
InChIKey RTJLYMVDFUQXBS-KVSWJAHQSA-N
Mol Weight 579.28 g/mol
Molecular Formula C23H15BrCl2FN5OS
Exact Mass 576.954178 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 65J76hnfZ6K
Name 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]acetohydrazide
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/C23H15BrCl2FN5OS/c24-16-3-10-20(27)15(11-16)12-28-29-21(33)13-34-23-31-30-22(14-1-4-17(25)5-2-14)32(23)19-8-6-18(26)7-9-19/h1-12H,13H2,(H,29,33)/b28-12+
InChIKey RTJLYMVDFUQXBS-KVSWJAHQSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16612
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: D23719; Labnumber: GRES-01440; SBI_ID: SBI-016615
Synonyms 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(5-bromo-2-fluorophenyl)methylidene]acetohydrazide
Temperature 315 °C