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5-isoxazolecarboxamide, 3-(4-fluorophenyl)-4,5-dihydro-N-(5-methyl-3-isoxazolyl)-

View entire compound with spectra: 2 NMR

5-isoxazolecarboxamide, 3-(4-fluorophenyl)-4,5-dihydro-N-(5-methyl-3-isoxazolyl)-
SpectraBase Compound ID 4lZnJfA943t
InChI InChI=1S/C14H12FN3O3/c1-8-6-13(18-20-8)16-14(19)12-7-11(17-21-12)9-2-4-10(15)5-3-9/h2-6,12H,7H2,1H3,(H,16,18,19)
InChIKey ZXNONIZUNZMICX-UHFFFAOYSA-N
Mol Weight 289.27 g/mol
Molecular Formula C14H12FN3O3
Exact Mass 289.086269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DKxgAeFMWE
Name 5-Isoxazolecarboxamide, 3-(4-fluorophenyl)-4,5-dihydro-N-(5-methyl-3-isoxazolyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.086269418 u
Formula C14H12FN3O3
InChI InChI=1S/C14H12FN3O3/c1-8-6-13(18-20-8)16-14(19)12-7-11(17-21-12)9-2-4-10(15)5-3-9/h2-6,12H,7H2,1H3,(H,16,18,19)
InChIKey ZXNONIZUNZMICX-UHFFFAOYSA-N
Molecular Weight 289.266 g/mol
SMILES N(C1=NOC(=C1)C)C(C1ON=C(C1)C=1C=CC(=CC1)F)=O