| SpectraBase Spectrum ID |
1RlzueSo5Mu |
| Name |
(.alpha.R,3S,5S)-N-(2-Hydroxy-1-phenylethyl)-5-methylthio-3-phthalimidopiperidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.130028366 u |
| Formula |
C22H22N2O4S |
| InChI |
InChI=1S/C22H22N2O4S/c1-29-15-11-18(24-20(26)16-9-5-6-10-17(16)21(24)27)22(28)23(12-15)19(13-25)14-7-3-2-4-8-14/h2-10,15,18-19,25H,11-13H2,1H3/t15-,18-,19-/m0/s1 |
| InChIKey |
PJQUIHRLCBCRNT-SNRMKQJTSA-N |
| Molecular Weight |
410.488 g/mol |
| SMILES |
C1(N(C(C2=CC=CC=C12)=O)[C@@]1(C(N([C@](C2=CC=CC=C2)(CO)[H])C[C@](C1)(SC)[H])=O)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966204 |
