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acetic acid, [[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-nitrophenyl)ethylidene]hydrazide

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acetic acid, [[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-nitrophenyl)ethylidene]hydrazide
SpectraBase Compound ID 5GWqYXDPpAN
InChI InChI=1S/C25H21ClN6O3S/c1-16-3-11-21(12-4-16)31-24(19-5-9-20(26)10-6-19)29-30-25(31)36-15-23(33)28-27-17(2)18-7-13-22(14-8-18)32(34)35/h3-14H,15H2,1-2H3,(H,28,33)/b27-17+
InChIKey RRHYMKITLFJJMS-WPWMEQJKSA-N
Mol Weight 521.0 g/mol
Molecular Formula C25H21ClN6O3S
Exact Mass 520.108437 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HwmrLyDYy2z
Name acetic acid, [[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(4-nitrophenyl)ethylidene]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/C25H21ClN6O3S/c1-16-3-11-21(12-4-16)31-24(19-5-9-20(26)10-6-19)29-30-25(31)36-15-23(33)28-27-17(2)18-7-13-22(14-8-18)32(34)35/h3-14H,15H2,1-2H3,(H,28,33)/b27-17+
InChIKey RRHYMKITLFJJMS-WPWMEQJKSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5291
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/10249259