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5-isoxazolecarboxamide, 3-(4-fluorophenyl)-4,5-dihydro-N-[2-(methylthio)phenyl]-
SpectraBase Compound ID 9MTpUSlopF8
InChI InChI=1S/C17H15FN2O2S/c1-23-16-5-3-2-4-13(16)19-17(21)15-10-14(20-22-15)11-6-8-12(18)9-7-11/h2-9,15H,10H2,1H3,(H,19,21)
InChIKey DSQLHFMOBZMBNO-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C17H15FN2O2S
Exact Mass 330.083827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2sv1JwTKDjN
Name 5-Isoxazolecarboxamide, 3-(4-fluorophenyl)-4,5-dihydro-N-[2-(methylthio)phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 330.083827066 u
Formula C17H15FN2O2S
InChI InChI=1S/C17H15FN2O2S/c1-23-16-5-3-2-4-13(16)19-17(21)15-10-14(20-22-15)11-6-8-12(18)9-7-11/h2-9,15H,10H2,1H3,(H,19,21)
InChIKey DSQLHFMOBZMBNO-UHFFFAOYSA-N
Molecular Weight 330.377 g/mol
SMILES N(C(C1ON=C(C1)C=1C=CC(=CC1)F)=O)C1=C(SC)C=CC=C1