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

SpectraBase Compound ID	3XyqELj9n8I
InChI	InChI=1S/C18H16F3N5O4/c1-9-16(26(28)29)10(2)25(23-9)8-14-11(3)30-24-15(14)17(27)22-13-6-4-12(5-7-13)18(19,20)21/h4-7H,8H2,1-3H3,(H,22,27)
InChIKey	DVBBMUNEKXENAJ-UHFFFAOYSA-N Google Search
Mol Weight	423.35 g/mol
Molecular Formula	C18H16F3N5O4
Exact Mass	423.115439 g/mol

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SpectraBase Spectrum ID	CyKDD2NRxO9
Name	4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-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/C18H16F3N5O4/c1-9-16(26(28)29)10(2)25(23-9)8-14-11(3)30-24-15(14)17(27)22-13-6-4-12(5-7-13)18(19,20)21/h4-7H,8H2,1-3H3,(H,22,27)
InChIKey	DVBBMUNEKXENAJ-UHFFFAOYSA-N
NMR Offset	17.9129
NMR Spectrometer Frequency	500.077
Observed nucleus	1H
Origin	1H_SBI_36227_33168
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: 1912144; SBI_ID: SBI-033172
Temperature	303 °C