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

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acetic acid, [[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3,4-dihydroxyphenyl)methylidene]hydrazide
SpectraBase Compound ID BZiM29YafAO
InChI InChI=1S/C25H23N5O5S/c1-34-21-11-9-17(13-22(21)35-2)24-28-29-25(30(24)18-6-4-3-5-7-18)36-15-23(33)27-26-14-16-8-10-19(31)20(32)12-16/h3-14,31-32H,15H2,1-2H3,(H,27,33)/b26-14+
InChIKey AQNDSZSOJQDVFI-VULFUBBASA-N
Mol Weight 505.55 g/mol
Molecular Formula C25H23N5O5S
Exact Mass 505.14199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5nPNHv40FtV
Name acetic acid, [[5-(3,4-dimethoxyphenyl)-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/C25H23N5O5S/c1-34-21-11-9-17(13-22(21)35-2)24-28-29-25(30(24)18-6-4-3-5-7-18)36-15-23(33)27-26-14-16-8-10-19(31)20(32)12-16/h3-14,31-32H,15H2,1-2H3,(H,27,33)/b26-14+
InChIKey AQNDSZSOJQDVFI-VULFUBBASA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_4981
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/10248634