SpectraBase Spectrum ID |
K6BEjSed5l4 |
Name |
(1'S,2S,rs)-1-(Tert-butoxycarbonyl)-2-(p-tolylsulfinyl-1'-hydroxy)ethylpyrrolidine |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |