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Isoxazole-4-carboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-chloro-5-trifluoromethylphenyl)-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Isoxazole-4-carboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-chloro-5-trifluoromethylphenyl)-
SpectraBase Compound ID GC33ObuCzhE
InChI InChI=1S/C18H10Cl2F4N2O2/c1-8-14(16(26-28-8)15-11(20)3-2-4-12(15)21)17(27)25-13-7-9(18(22,23)24)5-6-10(13)19/h2-7H,1H3,(H,25,27)
InChIKey YIHYIVGSPYSJCC-UHFFFAOYSA-N
Mol Weight 433.19 g/mol
Molecular Formula C18H10Cl2F4N2O2
Exact Mass 432.005546 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ujXBELnKjd
Name Isoxazole-4-carboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-chloro-5-trifluoromethylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.005545620 u
Formula C18H10Cl2F4N2O2
InChI InChI=1S/C18H10Cl2F4N2O2/c1-8-14(16(26-28-8)15-11(20)3-2-4-12(15)21)17(27)25-13-7-9(18(22,23)24)5-6-10(13)19/h2-7H,1H3,(H,25,27)
InChIKey YIHYIVGSPYSJCC-UHFFFAOYSA-N
Molecular Weight 433.190 g/mol
SMILES C=1(C(C(NC2=C(C=CC(C(F)(F)F)=C2)Cl)=O)=C(C)ON1)C=1C(F)=CC=CC1Cl