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3-[4'-(N,N-Dimethylamino)phenyl]-2-phenyl-4-(phenylsulfonyl)-isoxazolidine
SpectraBase Compound ID 7rTnem1fO8I
InChI InChI=1S/C23H24N2O3S/c1-24(2)19-15-13-18(14-16-19)23-22(29(26,27)21-11-7-4-8-12-21)17-28-25(23)20-9-5-3-6-10-20/h3-16,22-23H,17H2,1-2H3
InChIKey BPDYKERRVUCYMZ-UHFFFAOYSA-N
Mol Weight 408.52 g/mol
Molecular Formula C23H24N2O3S
Exact Mass 408.150764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSb0M9hhkBi
Name 3-[4'-(N,N-Dimethylamino)phenyl]-2-phenyl-4-(phenylsulfonyl)-isoxazolidine
Comments Computed using HOSE algorithm
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Exact Mass 408.150763812 u
Formula C23H24N2O3S
InChI InChI=1S/C23H24N2O3S/c1-24(2)19-15-13-18(14-16-19)23-22(29(26,27)21-11-7-4-8-12-21)17-28-25(23)20-9-5-3-6-10-20/h3-16,22-23H,17H2,1-2H3
InChIKey BPDYKERRVUCYMZ-UHFFFAOYSA-N
Molecular Weight 408.516 g/mol
SMILES C1(S(=O)(=O)C=2C=CC=CC2)C(N(C2=CC=CC=C2)OC1)C1=CC=C(C=C1)N(C)C