N-[1-(4-bromobenzyl)-1H-pyrazol-4-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide

SpectraBase Compound ID	BDxqfVMWzIJ
InChI	InChI=1S/C19H16BrN7O4/c1-12-17(11-26-10-16(7-22-26)27(29)30)18(24-31-12)19(28)23-15-6-21-25(9-15)8-13-2-4-14(20)5-3-13/h2-7,9-10H,8,11H2,1H3,(H,23,28)
InChIKey	BJHDPNDSXMCLNN-UHFFFAOYSA-N Google Search
Mol Weight	486.29 g/mol
Molecular Formula	C19H16BrN7O4
Exact Mass	485.044715 g/mol

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SpectraBase Spectrum ID	CtzDenj7EPt
Name	N-[1-(4-bromobenzyl)-1H-pyrazol-4-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-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/C19H16BrN7O4/c1-12-17(11-26-10-16(7-22-26)27(29)30)18(24-31-12)19(28)23-15-6-21-25(9-15)8-13-2-4-14(20)5-3-13/h2-7,9-10H,8,11H2,1H3,(H,23,28)
InChIKey	BJHDPNDSXMCLNN-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_32776
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: 1911536; SBI_ID: SBI-032780
Temperature	318 °C