3-(3-bromophenyl)-N-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4,5-dihydro-5-isoxazolecarboxamide

SpectraBase Compound ID	KGVOIadbq4B
InChI	InChI=1S/C22H19BrCl2N4O2/c1-12-21(13(2)29(27-12)11-16-17(24)7-4-8-18(16)25)26-22(30)20-10-19(28-31-20)14-5-3-6-15(23)9-14/h3-9,20H,10-11H2,1-2H3,(H,26,30)
InChIKey	IKCXIOJYGYMJJK-UHFFFAOYSA-N Google Search
Mol Weight	522.23 g/mol
Molecular Formula	C22H19BrCl2N4O2
Exact Mass	520.006844 g/mol

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SpectraBase Spectrum ID	41hcXFh2oBT
Name	3-(3-bromophenyl)-N-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4,5-dihydro-5-isoxazolecarboxamide
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/C22H19BrCl2N4O2/c1-12-21(13(2)29(27-12)11-16-17(24)7-4-8-18(16)25)26-22(30)20-10-19(28-31-20)14-5-3-6-15(23)9-14/h3-9,20H,10-11H2,1-2H3,(H,26,30)
InChIKey	IKCXIOJYGYMJJK-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_32161
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: 1844667; SBI_ID: SBI-032165
Temperature	308 °C