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

SpectraBase Compound ID	JSCPdbmSfmo
InChI	InChI=1S/C17H15BrFN5O4/c1-8-16(24(26)27)9(2)23(21-8)7-12-10(3)28-22-15(12)17(25)20-14-5-4-11(18)6-13(14)19/h4-6H,7H2,1-3H3,(H,20,25)
InChIKey	HGGABEYPSCJEPH-UHFFFAOYSA-N Google Search
Mol Weight	452.24 g/mol
Molecular Formula	C17H15BrFN5O4
Exact Mass	451.029145 g/mol

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SpectraBase Spectrum ID	2RlkoQRhOrR
Name	N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-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/C17H15BrFN5O4/c1-8-16(24(26)27)9(2)23(21-8)7-12-10(3)28-22-15(12)17(25)20-14-5-4-11(18)6-13(14)19/h4-6H,7H2,1-3H3,(H,20,25)
InChIKey	HGGABEYPSCJEPH-UHFFFAOYSA-N
NMR Offset	17.9122
NMR Spectrometer Frequency	500.077
Observed nucleus	1H
Origin	1H_SBI_36227_32800
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: 1911568; SBI_ID: SBI-032804
Temperature	303 °C