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4-isoxazolecarboxamide, 3-(2-chlorophenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID Jj2Ro4Wvcez
InChI InChI=1S/C18H12ClF3N2O3/c1-10-15(16(24-27-10)13-4-2-3-5-14(13)19)17(25)23-11-6-8-12(9-7-11)26-18(20,21)22/h2-9H,1H3,(H,23,25)
InChIKey HKMWUEBTVWGJBW-UHFFFAOYSA-N
Mol Weight 396.75 g/mol
Molecular Formula C18H12ClF3N2O3
Exact Mass 396.048854 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ASk5gSssrN9
Name 4-isoxazolecarboxamide, 3-(2-chlorophenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.048854440 u
Formula C18H12ClF3N2O3
InChI InChI=1S/C18H12ClF3N2O3/c1-10-15(16(24-27-10)13-4-2-3-5-14(13)19)17(25)23-11-6-8-12(9-7-11)26-18(20,21)22/h2-9H,1H3,(H,23,25)
InChIKey HKMWUEBTVWGJBW-UHFFFAOYSA-N
Molecular Weight 396.753 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4672
Solvent DMSO-d6
Source Vendor ID: ZI/9090894; Lab Info: DS; Lab Number: DS-Z142001