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(1'S,2S,rs)-1-(Tert-butoxycarbonyl)-2-(p-tolylsulfinyl-1'-hydroxy)ethylpyrrolidine
SpectraBase Compound ID Dc9jwiFe0QC
InChI InChI=1S/C18H27NO4S/c1-13-7-9-14(10-8-13)24(22)12-16(20)15-6-5-11-19(15)17(21)23-18(2,3)4/h7-10,15-16,20H,5-6,11-12H2,1-4H3/t15-,16+,24?/m0/s1
InChIKey NKAXRMFPQWDMNI-CAFRZEFWSA-N
Mol Weight 353.48 g/mol
Molecular Formula C18H27NO4S
Exact Mass 353.16608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6BEjSed5l4
Name (1'S,2S,rs)-1-(Tert-butoxycarbonyl)-2-(p-tolylsulfinyl-1'-hydroxy)ethylpyrrolidine
Comments Computed using HOSE algorithm
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Exact Mass 353.166079523 u
Formula C18H27NO4S
InChI InChI=1S/C18H27NO4S/c1-13-7-9-14(10-8-13)24(22)12-16(20)15-6-5-11-19(15)17(21)23-18(2,3)4/h7-10,15-16,20H,5-6,11-12H2,1-4H3/t15-,16+,24?/m0/s1
InChIKey NKAXRMFPQWDMNI-CAFRZEFWSA-N
Molecular Weight 353.477 g/mol
SMILES C(N1[C@]([C@@](CS(C2=CC=C(C=C2)C)=O)(O)[H])(CCC1)[H])(OC(C)(C)C)=O