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

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acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2,3,4-trimethoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID 97uYpjclWwT
InChI InChI=1S/C27H27N5O4S/c1-18-10-12-19(13-11-18)26-30-31-27(32(26)21-8-6-5-7-9-21)37-17-23(33)29-28-16-20-14-15-22(34-2)25(36-4)24(20)35-3/h5-16H,17H2,1-4H3,(H,29,33)/b28-16+
InChIKey XLNAUSYSWIYCDA-LQKURTRISA-N
Mol Weight 517.6 g/mol
Molecular Formula C27H27N5O4S
Exact Mass 517.178376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 183AaZmZ4mV
Name acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2,3,4-trimethoxyphenyl)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/C27H27N5O4S/c1-18-10-12-19(13-11-18)26-30-31-27(32(26)21-8-6-5-7-9-21)37-17-23(33)29-28-16-20-14-15-22(34-2)25(36-4)24(20)35-3/h5-16H,17H2,1-4H3,(H,29,33)/b28-16+
InChIKey XLNAUSYSWIYCDA-LQKURTRISA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_4444
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/10247341