| SpectraBase Spectrum ID |
3yIL9mXTvNC |
| Name |
(4S,5R)-1-Isopropyl-5-phenyl-4-(phenylsulfonyl)pyrrolidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.124214711 u |
| Formula |
C19H21NO3S |
| InChI |
InChI=1S/C19H21NO3S/c1-14(2)20-18(21)13-17(19(20)15-9-5-3-6-10-15)24(22,23)16-11-7-4-8-12-16/h3-12,14,17,19H,13H2,1-2H3/t17-,19+/m0/s1 |
| InChIKey |
AJDHANNSBJWTGG-PKOBYXMFSA-N |
| Molecular Weight |
343.441 g/mol |
| SMILES |
C1(N([C@@]([C@](C1)(S(=O)(=O)C1=CC=CC=C1)[H])(C1=CC=CC=C1)[H])C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90597 |
