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(2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-4-yl]-2-propenamide
SpectraBase Compound ID BfAVEsvc3rI
InChI InChI=1S/C27H22BrCl2N3O3/c1-35-26-11-5-18(13-19(26)17-36-22-9-7-20(28)8-10-22)6-12-27(34)32-21-14-31-33(15-21)16-23-24(29)3-2-4-25(23)30/h2-15H,16-17H2,1H3,(H,32,34)/b12-6+
InChIKey WDYUNVIKEFYBHD-WUXMJOGZSA-N
Mol Weight 587.3 g/mol
Molecular Formula C27H22BrCl2N3O3
Exact Mass 585.02216 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9BL3Ka8SF1V
Name (2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[1-(2,6-dichlorobenzyl)-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/C27H22BrCl2N3O3/c1-35-26-11-5-18(13-19(26)17-36-22-9-7-20(28)8-10-22)6-12-27(34)32-21-14-31-33(15-21)16-23-24(29)3-2-4-25(23)30/h2-15H,16-17H2,1H3,(H,32,34)/b12-6+
InChIKey WDYUNVIKEFYBHD-WUXMJOGZSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3365
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: 9315791; UBI_ID: UBI-003366
Synonyms 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-4-yl]-2-propenamide
Temperature 308 °C