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

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acetic acid, [[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(dimethylamino)phenyl]methylidene]hydrazide
SpectraBase Compound ID 68nXQlVZnXT
InChI InChI=1S/C29H32N6OS/c1-29(2,3)23-15-13-22(14-16-23)27-32-33-28(35(27)25-9-7-6-8-10-25)37-20-26(36)31-30-19-21-11-17-24(18-12-21)34(4)5/h6-19H,20H2,1-5H3,(H,31,36)/b30-19+
InChIKey OFHQNBHUEXMOKC-NDZAJKAJSA-N
Mol Weight 512.7 g/mol
Molecular Formula C29H32N6OS
Exact Mass 512.235831 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KWKtnvpxqm6
Name acetic acid, [[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(dimethylamino)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/C29H32N6OS/c1-29(2,3)23-15-13-22(14-16-23)27-32-33-28(35(27)25-9-7-6-8-10-25)37-20-26(36)31-30-19-21-11-17-24(18-12-21)34(4)5/h6-19H,20H2,1-5H3,(H,31,36)/b30-19+
InChIKey OFHQNBHUEXMOKC-NDZAJKAJSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6046
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/10259561