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acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3,4-dihydroxyphenyl)methylidene]hydrazide

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acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3,4-dihydroxyphenyl)methylidene]hydrazide
SpectraBase Compound ID BJotTd11yzX
InChI InChI=1S/C23H18ClN5O3S/c24-17-9-7-16(8-10-17)22-27-28-23(29(22)18-4-2-1-3-5-18)33-14-21(32)26-25-13-15-6-11-19(30)20(31)12-15/h1-13,30-31H,14H2,(H,26,32)/b25-13+
InChIKey ODUALPOOXDHRHL-DHRITJCHSA-N
Mol Weight 479.94 g/mol
Molecular Formula C23H18ClN5O3S
Exact Mass 479.081888 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID wcaDCalb7C
Name acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3,4-dihydroxyphenyl)methylidene]hydrazide
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/C23H18ClN5O3S/c24-17-9-7-16(8-10-17)22-27-28-23(29(22)18-4-2-1-3-5-18)33-14-21(32)26-25-13-15-6-11-19(30)20(31)12-15/h1-13,30-31H,14H2,(H,26,32)/b25-13+
InChIKey ODUALPOOXDHRHL-DHRITJCHSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5014
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: NMR/10248677