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

View entire compound with spectra: 1 NMR

acetic acid, [[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-chloro-5-nitrophenyl)methylidene]hydrazide
SpectraBase Compound ID GnUkCfeLqan
InChI InChI=1S/C25H21ClN6O5S/c1-36-21-11-8-16(13-22(21)37-2)24-29-30-25(31(24)18-6-4-3-5-7-18)38-15-23(33)28-27-14-17-12-19(32(34)35)9-10-20(17)26/h3-14H,15H2,1-2H3,(H,28,33)/b27-14+
InChIKey JRBXXQDYUHLCAG-MZJWZYIUSA-N
Mol Weight 552.99 g/mol
Molecular Formula C25H21ClN6O5S
Exact Mass 552.098267 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L8bWGaKdB9a
Name acetic acid, [[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(2-chloro-5-nitrophenyl)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/C25H21ClN6O5S/c1-36-21-11-8-16(13-22(21)37-2)24-29-30-25(31(24)18-6-4-3-5-7-18)38-15-23(33)28-27-14-17-12-19(32(34)35)9-10-20(17)26/h3-14H,15H2,1-2H3,(H,28,33)/b27-14+
InChIKey JRBXXQDYUHLCAG-MZJWZYIUSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_4989
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/10248647