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

View entire compound with spectra: 2 NMR

5-isoxazolecarboxamide, 3-(4-fluorophenyl)-4,5-dihydro-N-(3-pyridinylmethyl)-
SpectraBase Compound ID IRKhInQ4i69
InChI InChI=1S/C16H14FN3O2/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/h1-7,9,15H,8,10H2,(H,19,21)
InChIKey SSWSESGQGFAMKX-UHFFFAOYSA-N
Mol Weight 299.31 g/mol
Molecular Formula C16H14FN3O2
Exact Mass 299.107005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JH3BbFEcwtA
Name 5-Isoxazolecarboxamide, 3-(4-fluorophenyl)-4,5-dihydro-N-(3-pyridinylmethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 299.107004864 u
Formula C16H14FN3O2
InChI InChI=1S/C16H14FN3O2/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/h1-7,9,15H,8,10H2,(H,19,21)
InChIKey SSWSESGQGFAMKX-UHFFFAOYSA-N
Molecular Weight 299.305 g/mol
SMILES N(C(C1ON=C(C1)C=1C=CC(=CC1)F)=O)CC=1C=NC=CC1