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5-isoxazolecarboxamide, N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-
SpectraBase Compound ID 5gcD8ykQCms
InChI InChI=1S/C18H15FN2O3/c1-23-15-8-4-13(5-9-15)16-10-17(24-21-16)18(22)20-11-12-2-6-14(19)7-3-12/h2-10H,11H2,1H3,(H,20,22)
InChIKey MSWBXKQVIHTEAK-UHFFFAOYSA-N
Mol Weight 326.33 g/mol
Molecular Formula C18H15FN2O3
Exact Mass 326.106671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G13Yzm1PMNa
Name 5-Isoxazolecarboxamide, N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.106670511 u
Formula C18H15FN2O3
InChI InChI=1S/C18H15FN2O3/c1-23-15-8-4-13(5-9-15)16-10-17(24-21-16)18(22)20-11-12-2-6-14(19)7-3-12/h2-10H,11H2,1H3,(H,20,22)
InChIKey MSWBXKQVIHTEAK-UHFFFAOYSA-N
Molecular Weight 326.327 g/mol
SMILES C1=CC(=CC=C1C=1C=C(C(=O)NCC2=CC=C(C=C2)F)ON1)OC