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

SpectraBase Compound ID	L0OF1v6G1W7
InChI	InChI=1S/C22H21BrClN3O3/c1-27-13-16(12-26-27)11-25-22(28)8-4-15-3-6-20(29-2)17(9-15)14-30-21-7-5-18(24)10-19(21)23/h3-10,12-13H,11,14H2,1-2H3,(H,25,28)/b8-4+
InChIKey	DYOKJZIKRWUUKH-XBXARRHUSA-N Google Search
Mol Weight	490.79 g/mol
Molecular Formula	C22H21BrClN3O3
Exact Mass	489.045482 g/mol

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SpectraBase Spectrum ID	5BqBnIJ36iU
Name	(2E)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-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/C22H21BrClN3O3/c1-27-13-16(12-26-27)11-25-22(28)8-4-15-3-6-20(29-2)17(9-15)14-30-21-7-5-18(24)10-19(21)23/h3-10,12-13H,11,14H2,1-2H3,(H,25,28)/b8-4+
InChIKey	DYOKJZIKRWUUKH-XBXARRHUSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_3801
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: 9318560; UBI_ID: UBI-003802
Synonyms	3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-propenamide
Temperature	308 °C