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(2E)-3-[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(2,4-dimethoxyphenyl)-2-propenamide
SpectraBase Compound ID sZFcK6PQVF
InChI InChI=1S/C28H23ClN4O3/c1-35-24-12-13-25(26(15-24)36-2)31-28(34)21(16-30)14-22-18-33(17-19-8-10-23(29)11-9-19)32-27(22)20-6-4-3-5-7-20/h3-15,18H,17H2,1-2H3,(H,31,34)/b21-14+
InChIKey YKJHVGVGSWVLSN-KGENOOAVSA-N
Mol Weight 498.97 g/mol
Molecular Formula C28H23ClN4O3
Exact Mass 498.145868 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ByJk6X8Pq9M
Name (2E)-3-[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(2,4-dimethoxyphenyl)-2-propenamide
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/C28H23ClN4O3/c1-35-24-12-13-25(26(15-24)36-2)31-28(34)21(16-30)14-22-18-33(17-19-8-10-23(29)11-9-19)32-27(22)20-6-4-3-5-7-20/h3-15,18H,17H2,1-2H3,(H,31,34)/b21-14+
InChIKey YKJHVGVGSWVLSN-KGENOOAVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7061
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: UZI/1267343; Labnumber: COL4106; UZI_ID: UZI-007063
Synonyms 3-[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(2,4-dimethoxyphenyl)-2-propenamide
Temperature 318 °C