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5-isoxazolecarboxamide, 3-(4-fluorophenyl)-4,5-dihydro-N-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID CRRlWkNpiDK
InChI InChI=1S/C17H12F4N2O2/c18-12-6-4-10(5-7-12)14-9-15(25-23-14)16(24)22-13-3-1-2-11(8-13)17(19,20)21/h1-8,15H,9H2,(H,22,24)
InChIKey DMQRRLPKVFXAGS-UHFFFAOYSA-N
Mol Weight 352.29 g/mol
Molecular Formula C17H12F4N2O2
Exact Mass 352.08349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HyUHxYFzrg2
Name 5-Isoxazolecarboxamide, 3-(4-fluorophenyl)-4,5-dihydro-N-[3-(trifluoromethyl)phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 352.083490284 u
Formula C17H12F4N2O2
InChI InChI=1S/C17H12F4N2O2/c18-12-6-4-10(5-7-12)14-9-15(25-23-14)16(24)22-13-3-1-2-11(8-13)17(19,20)21/h1-8,15H,9H2,(H,22,24)
InChIKey DMQRRLPKVFXAGS-UHFFFAOYSA-N
Molecular Weight 352.289 g/mol
SMILES N(C(C1ON=C(C1)C1=CC=C(C=C1)F)=O)C1=CC(C(F)(F)F)=CC=C1