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5-isoxazolecarboxamide, 3-(4-fluorophenyl)-N-(3-pyridinylmethyl)-

View entire compound with spectra: 2 NMR

5-isoxazolecarboxamide, 3-(4-fluorophenyl)-N-(3-pyridinylmethyl)-
SpectraBase Compound ID cmNBXpJAxk
InChI InChI=1S/C16H12FN3O2/c17-13-5-3-12(4-6-13)14-8-15(22-20-14)16(21)19-10-11-2-1-7-18-9-11/h1-9H,10H2,(H,19,21)
InChIKey BXHSNAKQZXHGRW-UHFFFAOYSA-N
Mol Weight 297.29 g/mol
Molecular Formula C16H12FN3O2
Exact Mass 297.091355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ysBTvVXN8M
Name 5-Isoxazolecarboxamide, 3-(4-fluorophenyl)-N-(3-pyridinylmethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 297.091354799 u
Formula C16H12FN3O2
InChI InChI=1S/C16H12FN3O2/c17-13-5-3-12(4-6-13)14-8-15(22-20-14)16(21)19-10-11-2-1-7-18-9-11/h1-9H,10H2,(H,19,21)
InChIKey BXHSNAKQZXHGRW-UHFFFAOYSA-N
Molecular Weight 297.289 g/mol
SMILES N(C(C1=CC(C2=CC=C(C=C2)F)=NO1)=O)CC1=CN=CC=C1