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

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acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]hydrazide
SpectraBase Compound ID DrQKnwUKkDR
InChI InChI=1S/C23H22N6OS/c1-17-10-12-18(13-11-17)22-26-27-23(29(22)19-7-4-3-5-8-19)31-16-21(30)25-24-15-20-9-6-14-28(20)2/h3-15H,16H2,1-2H3,(H,25,30)/b24-15+
InChIKey VCCXBTLAHMEOCM-BUVRLJJBSA-N
Mol Weight 430.53 g/mol
Molecular Formula C23H22N6OS
Exact Mass 430.157581 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EOjRZJpyCoi
Name acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(1-methyl-1H-pyrrol-2-yl)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/C23H22N6OS/c1-17-10-12-18(13-11-17)22-26-27-23(29(22)19-7-4-3-5-8-19)31-16-21(30)25-24-15-20-9-6-14-28(20)2/h3-15H,16H2,1-2H3,(H,25,30)/b24-15+
InChIKey VCCXBTLAHMEOCM-BUVRLJJBSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6033
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/10259532