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4-[(3R,4R)-4-(benzenesulfonyl)-2-methyl-1,2-oxazolidin-3-yl]-N,N-dimethylaniline
SpectraBase Compound ID B9xb0EN03dJ
InChI InChI=1S/C18H22N2O3S/c1-19(2)15-11-9-14(10-12-15)18-17(13-23-20(18)3)24(21,22)16-7-5-4-6-8-16/h4-12,17-18H,13H2,1-3H3/t17-,18+/m0/s1
InChIKey AYBXDLYXOKNYLO-ZWKOTPCHSA-N
Mol Weight 346.45 g/mol
Molecular Formula C18H22N2O3S
Exact Mass 346.135114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQYIeCszD5t
Name 4-[(3R,4R)-4-(Benzenesulfonyl)-2-methyl-1,2-oxazolidin-3-yl]-N,N-dimethylaniline
Comments Computed using HOSE algorithm
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Exact Mass 346.135113747 u
Formula C18H22N2O3S
InChI InChI=1S/C18H22N2O3S/c1-19(2)15-11-9-14(10-12-15)18-17(13-23-20(18)3)24(21,22)16-7-5-4-6-8-16/h4-12,17-18H,13H2,1-3H3/t17-,18+/m0/s1
InChIKey AYBXDLYXOKNYLO-ZWKOTPCHSA-N
Molecular Weight 346.445 g/mol
SMILES [C@]1(S(=O)(=O)C=2C=CC=CC2)([C@](N(C)OC1)(C1=CC=C(C=C1)N(C)C)[H])[H]