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

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acetic acid, [[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(1,1-dimethylethyl)phenyl]methylidene]hydrazide
SpectraBase Compound ID 36x7gyxYY8A
InChI InChI=1S/C28H29N5OS/c1-20-10-16-24(17-11-20)33-26(22-8-6-5-7-9-22)31-32-27(33)35-19-25(34)30-29-18-21-12-14-23(15-13-21)28(2,3)4/h5-18H,19H2,1-4H3,(H,30,34)/b29-18+
InChIKey INEJNZNJYCNKFX-RDRPBHBLSA-N
Mol Weight 483.63 g/mol
Molecular Formula C28H29N5OS
Exact Mass 483.209282 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2JVNdPSSaZ6
Name acetic acid, [[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(1,1-dimethylethyl)phenyl]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/C28H29N5OS/c1-20-10-16-24(17-11-20)33-26(22-8-6-5-7-9-22)31-32-27(33)35-19-25(34)30-29-18-21-12-14-23(15-13-21)28(2,3)4/h5-18H,19H2,1-4H3,(H,30,34)/b29-18+
InChIKey INEJNZNJYCNKFX-RDRPBHBLSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_4757
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/10248089