For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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
Mol Weight 423.35 g/mol
Molecular Formula C18H16F3N5O4
Exact Mass 423.115439 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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