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acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(3-bromophenyl)ethylidene]hydrazide
SpectraBase Compound ID 6PLzH9n2aKd
InChI InChI=1S/C25H22BrN5OS/c1-17-11-13-19(14-12-17)24-29-30-25(31(24)22-9-4-3-5-10-22)33-16-23(32)28-27-18(2)20-7-6-8-21(26)15-20/h3-15H,16H2,1-2H3,(H,28,32)/b27-18+
InChIKey NMBLUAVLOJNHND-OVVQPSECSA-N
Mol Weight 520.45 g/mol
Molecular Formula C25H22BrN5OS
Exact Mass 519.072845 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JItk7f6aOzp
Name acetic acid, [[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-1-(3-bromophenyl)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/C25H22BrN5OS/c1-17-11-13-19(14-12-17)24-29-30-25(31(24)22-9-4-3-5-10-22)33-16-23(32)28-27-18(2)20-7-6-8-21(26)15-20/h3-15H,16H2,1-2H3,(H,28,32)/b27-18+
InChIKey NMBLUAVLOJNHND-OVVQPSECSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5245
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/10249117