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(2E)-3-[1-benzyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2,5-dichlorophenyl)-2-propenamide
SpectraBase Compound ID 5lvRAIunCe5
InChI InChI=1S/C27H20Cl2N4O2/c1-35-23-10-7-19(8-11-23)26-21(17-33(32-26)16-18-5-3-2-4-6-18)13-20(15-30)27(34)31-25-14-22(28)9-12-24(25)29/h2-14,17H,16H2,1H3,(H,31,34)/b20-13+
InChIKey WTVJUKKJMOETQD-DEDYPNTBSA-N
Mol Weight 503.39 g/mol
Molecular Formula C27H20Cl2N4O2
Exact Mass 502.096331 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ZGoxr675uT
Name (2E)-3-[1-benzyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2,5-dichlorophenyl)-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/C27H20Cl2N4O2/c1-35-23-10-7-19(8-11-23)26-21(17-33(32-26)16-18-5-3-2-4-6-18)13-20(15-30)27(34)31-25-14-22(28)9-12-24(25)29/h2-14,17H,16H2,1H3,(H,31,34)/b20-13+
InChIKey WTVJUKKJMOETQD-DEDYPNTBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7157
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/1269385; Labnumber: COL4299; UZI_ID: UZI-007159
Synonyms 3-[1-benzyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2,5-dichlorophenyl)-2-propenamide
Temperature 318 °C