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(2E)-3-[1-(4-chlorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2,4-dimethoxyphenyl)-2-propenamide
SpectraBase Compound ID 1K8EAB1IH7Z
InChI InChI=1S/C29H25ClN4O4/c1-36-24-10-6-20(7-11-24)28-22(18-34(33-28)17-19-4-8-23(30)9-5-19)14-21(16-31)29(35)32-26-13-12-25(37-2)15-27(26)38-3/h4-15,18H,17H2,1-3H3,(H,32,35)/b21-14+
InChIKey JRRUSAUSMKBPCH-KGENOOAVSA-N
Mol Weight 529.0 g/mol
Molecular Formula C29H25ClN4O4
Exact Mass 528.156433 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6C4uAOuXDw4
Name (2E)-3-[1-(4-chlorobenzyl)-3-(4-methoxyphenyl)-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/C29H25ClN4O4/c1-36-24-10-6-20(7-11-24)28-22(18-34(33-28)17-19-4-8-23(30)9-5-19)14-21(16-31)29(35)32-26-13-12-25(37-2)15-27(26)38-3/h4-15,18H,17H2,1-3H3,(H,32,35)/b21-14+
InChIKey JRRUSAUSMKBPCH-KGENOOAVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7056
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/1267566; Labnumber: COL4101; UZI_ID: UZI-007058
Synonyms 3-[1-(4-chlorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2,4-dimethoxyphenyl)-2-propenamide
Temperature 318 °C