(2E)-N-(1-benzyl-1H-pyrazol-4-yl)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-2-propenamide

SpectraBase Compound ID	8FwjRLsHFoR
InChI	InChI=1S/C27H23BrClN3O3/c1-34-25-10-7-19(13-21(25)18-35-26-11-9-22(29)14-24(26)28)8-12-27(33)31-23-15-30-32(17-23)16-20-5-3-2-4-6-20/h2-15,17H,16,18H2,1H3,(H,31,33)/b12-8+
InChIKey	LLIFXTZYVJUOHJ-XYOKQWHBSA-N Google Search
Mol Weight	552.86 g/mol
Molecular Formula	C27H23BrClN3O3
Exact Mass	551.061132 g/mol

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SpectraBase Spectrum ID	Fa268iqvO7Y
Name	(2E)-N-(1-benzyl-1H-pyrazol-4-yl)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-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/C27H23BrClN3O3/c1-34-25-10-7-19(13-21(25)18-35-26-11-9-22(29)14-24(26)28)8-12-27(33)31-23-15-30-32(17-23)16-20-5-3-2-4-6-20/h2-15,17H,16,18H2,1H3,(H,31,33)/b12-8+
InChIKey	LLIFXTZYVJUOHJ-XYOKQWHBSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_3799
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: 9318127; UBI_ID: UBI-003800
Synonyms	N-(1-benzyl-1H-pyrazol-4-yl)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-2-propenamide
Temperature	318 °C