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(2E)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-2-propenamide
SpectraBase Compound ID JrpibUoJshK
InChI InChI=1S/C27H22BrClFN3O3/c1-35-25-9-4-18(12-20(25)17-36-26-10-6-21(29)13-24(26)28)5-11-27(34)32-23-14-31-33(16-23)15-19-2-7-22(30)8-3-19/h2-14,16H,15,17H2,1H3,(H,32,34)/b11-5+
InChIKey FFWGCXYRPGUNMP-VZUCSPMQSA-N
Mol Weight 570.85 g/mol
Molecular Formula C27H22BrClFN3O3
Exact Mass 569.05171 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ukPMoNSsH3
Name (2E)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-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/C27H22BrClFN3O3/c1-35-25-9-4-18(12-20(25)17-36-26-10-6-21(29)13-24(26)28)5-11-27(34)32-23-14-31-33(16-23)15-19-2-7-22(30)8-3-19/h2-14,16H,15,17H2,1H3,(H,32,34)/b11-5+
InChIKey FFWGCXYRPGUNMP-VZUCSPMQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3793
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: 9317439; UBI_ID: UBI-003794
Synonyms 3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-2-propenamide
Temperature 318 °C