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4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID JuwgwNdc8wV
InChI InChI=1S/C17H14Cl2N4OS/c1-2-24-13-5-3-4-12(9-13)16-21-22-17(25)23(16)20-10-11-6-7-14(18)15(19)8-11/h3-10H,2H2,1H3,(H,22,25)/b20-10+
InChIKey JVHMPCDWNCLQFU-KEBDBYFISA-N
Mol Weight 393.29 g/mol
Molecular Formula C17H14Cl2N4OS
Exact Mass 392.026538 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E89M5EcQvdw
Name 4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-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/C17H14Cl2N4OS/c1-2-24-13-5-3-4-12(9-13)16-21-22-17(25)23(16)20-10-11-6-7-14(18)15(19)8-11/h3-10H,2H2,1H3,(H,22,25)/b20-10+
InChIKey JVHMPCDWNCLQFU-KEBDBYFISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6711
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: D25327; Labnumber: GRES-03548; SBI_ID: SBI-006714
Synonyms 4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(3,4-dichlorophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C