| SpectraBase Spectrum ID |
3PyETe9dOA3 |
| Name |
(3R,4S)-1-Benzyl-4-hydroxy-3-(1-hydroxy-1-methyl-ethyl)-2-pyrrolidone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.136493473 u |
| Formula |
C14H19NO3 |
| InChI |
InChI=1S/C14H19NO3/c1-14(2,18)12-11(16)9-15(13(12)17)8-10-6-4-3-5-7-10/h3-7,11-12,16,18H,8-9H2,1-2H3/t11-,12+/m1/s1 |
| InChIKey |
RKOFCBORVBSENG-NEPJUHHUSA-N |
| Molecular Weight |
249.310 g/mol |
| SMILES |
C1(N(C[C@]([C@@]1(C(O)(C)C)[H])(O)[H])CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819363 |
