N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-isoxazolecarboxamide

SpectraBase Compound ID	9ooU8hFzKaF
InChI	InChI=1S/C21H20ClN7O4/c1-12-19(13(2)28(25-12)9-15-6-4-5-7-18(15)22)24-21(30)20-17(14(3)33-26-20)11-27-10-16(8-23-27)29(31)32/h4-8,10H,9,11H2,1-3H3,(H,24,30)
InChIKey	AFDOGHSOTCKRNT-UHFFFAOYSA-N Google Search
Mol Weight	469.89 g/mol
Molecular Formula	C21H20ClN7O4
Exact Mass	469.12653 g/mol

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SpectraBase Spectrum ID	D9ugoHPrECE
Name	N-[1-(2-chlorobenzyl)-3,5-dimethyl-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/C21H20ClN7O4/c1-12-19(13(2)28(25-12)9-15-6-4-5-7-18(15)22)24-21(30)20-17(14(3)33-26-20)11-27-10-16(8-23-27)29(31)32/h4-8,10H,9,11H2,1-3H3,(H,24,30)
InChIKey	AFDOGHSOTCKRNT-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_32851
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: 1911652; SBI_ID: SBI-032855
Temperature	318 °C