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N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
SpectraBase Compound ID 6Etbkng5jfS
InChI InChI=1S/C21H16ClFN4O2/c1-13-19(20(26-29-13)14-6-3-2-4-7-14)21(28)24-18-10-11-27(25-18)12-15-16(22)8-5-9-17(15)23/h2-11H,12H2,1H3,(H,24,25,28)
InChIKey WOKRTPOLUUCKQN-UHFFFAOYSA-N
Mol Weight 410.84 g/mol
Molecular Formula C21H16ClFN4O2
Exact Mass 410.094582 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jl3Vvhuh8uq
Name N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-5-methyl-3-phenyl-4-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/C21H16ClFN4O2/c1-13-19(20(26-29-13)14-6-3-2-4-7-14)21(28)24-18-10-11-27(25-18)12-15-16(22)8-5-9-17(15)23/h2-11H,12H2,1H3,(H,24,25,28)
InChIKey WOKRTPOLUUCKQN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_4350
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/9139271; Labnumber: BAM_UACK/009926; UZI_ID: UZI-004352
Temperature 318 °C