(2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]-2-propenamide

SpectraBase Compound ID	2X5hIMCWTDt
InChI	InChI=1S/C27H22BrCl2N3O3/c1-35-26-10-3-18(12-20(26)17-36-23-7-5-21(28)6-8-23)4-11-27(34)32-22-14-31-33(16-22)15-19-2-9-24(29)25(30)13-19/h2-14,16H,15,17H2,1H3,(H,32,34)/b11-4+
InChIKey	OTLCGHHHTGVQML-NYYWCZLTSA-N Google Search
Mol Weight	587.3 g/mol
Molecular Formula	C27H22BrCl2N3O3
Exact Mass	585.02216 g/mol

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SpectraBase Spectrum ID	8ZgOnCsVDgz
Name	(2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[1-(3,4-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/c1-35-26-10-3-18(12-20(26)17-36-23-7-5-21(28)6-8-23)4-11-27(34)32-22-14-31-33(16-22)15-19-2-9-24(29)25(30)13-19/h2-14,16H,15,17H2,1H3,(H,32,34)/b11-4+
InChIKey	OTLCGHHHTGVQML-NYYWCZLTSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_3015
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: 9313592; UBI_ID: UBI-003016
Synonyms	3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]-2-propenamide
Temperature	315 °C