3,5-dimethyl-4-nitro-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole

SpectraBase Compound ID	HllAWB0ruii
InChI	InChI=1S/C13H12F3N3O2/c1-8-12(19(20)21)9(2)18(17-8)7-10-4-3-5-11(6-10)13(14,15)16/h3-6H,7H2,1-2H3
InChIKey	JXLGTRVRUGNUCZ-UHFFFAOYSA-N Google Search
Mol Weight	299.25 g/mol
Molecular Formula	C13H12F3N3O2
Exact Mass	299.088161 g/mol

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SpectraBase Spectrum ID	66dE7sFO0By
Name	3,5-dimethyl-4-nitro-1-[3-(trifluoromethyl)benzyl]-1H-pyrazole
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/C13H12F3N3O2/c1-8-12(19(20)21)9(2)18(17-8)7-10-4-3-5-11(6-10)13(14,15)16/h3-6H,7H2,1-2H3
InChIKey	JXLGTRVRUGNUCZ-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_9149
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: UZI/1263007; Labnumber: GLA0206; UZI_ID: UZI-009151
Temperature	308 °C