| SpectraBase Spectrum ID |
6CrIaAFmhs1 |
| Name |
(4S,5R)-1-Benzyl-4-(phenylsulfonyl)-5-[(E)-prop-1-en-1-yl]pyrrolidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.124214711 u |
| Formula |
C20H21NO3S |
| InChI |
InChI=1S/C20H21NO3S/c1-2-9-18-19(25(23,24)17-12-7-4-8-13-17)14-20(22)21(18)15-16-10-5-3-6-11-16/h2-13,18-19H,14-15H2,1H3/b9-2+/t18-,19+/m1/s1 |
| InChIKey |
AXHFTJJPDADVNL-FHVPNJMCSA-N |
| Molecular Weight |
355.452 g/mol |
| SMILES |
C1(N([C@@]([C@](C1)(S(=O)(=O)C1=CC=CC=C1)[H])(\C=C\C)[H])CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896042 |
![(4S,5R)-1-Benzyl-4-(phenylsulfonyl)-5-[(E)-prop-1-en-1-yl]pyrrolidin-2-one](/api/spectrum/6CrIaAFmhs1/structure.png?h=300&w=458 "(4S,5R)-1-Benzyl-4-(phenylsulfonyl)-5-[(E)-prop-1-en-1-yl]pyrrolidin-2-one")
