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4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID HIg0xA56VKo
InChI InChI=1S/C15H9Cl2N5O2S/c16-11-3-1-2-9(6-11)14-19-20-15(25)21(14)18-8-10-7-12(22(23)24)4-5-13(10)17/h1-8H,(H,20,25)/b18-8+
InChIKey RBWAGTXAVBJGMX-QGMBQPNBSA-N
Mol Weight 394.24 g/mol
Molecular Formula C15H9Cl2N5O2S
Exact Mass 392.985401 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CjzMInwsQ5d
Name 4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(3-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/C15H9Cl2N5O2S/c16-11-3-1-2-9(6-11)14-19-20-15(25)21(14)18-8-10-7-12(22(23)24)4-5-13(10)17/h1-8H,(H,20,25)/b18-8+
InChIKey RBWAGTXAVBJGMX-QGMBQPNBSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16569
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: D25037; Labnumber: GRES-03061; SBI_ID: SBI-016572
Synonyms 4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(2-chloro-5-nitrophenyl)methylidene]amino}-5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Temperature 308 °C