| SpectraBase Spectrum ID |
3bJkT6I6Ed4 |
| Name |
Benzyl 5-[(S)-4-isopropyl-2-oxooxazolidin-3-yl]-5-oxo-4-phenylpentanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.188922968 u |
| Formula |
C24H27NO5 |
| InChI |
InChI=1S/C24H27NO5/c1-17(2)21-16-30-24(28)25(21)23(27)20(19-11-7-4-8-12-19)13-14-22(26)29-15-18-9-5-3-6-10-18/h3-12,17,20-21H,13-16H2,1-2H3/t20?,21-/m1/s1 |
| InChIKey |
ATTXAWNOEIZSEA-BPGUCPLFSA-N |
| Molecular Weight |
409.482 g/mol |
| SMILES |
C(CCC(C(=O)N1C(OC[C@@]1(C(C)C)[H])=O)C=1C=CC=CC1)(=O)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903316 |
![Benzyl 5-[(S)-4-isopropyl-2-oxooxazolidin-3-yl]-5-oxo-4-phenylpentanoate](/api/spectrum/3bJkT6I6Ed4/structure.png?h=300&w=458 "Benzyl 5-[(S)-4-isopropyl-2-oxooxazolidin-3-yl]-5-oxo-4-phenylpentanoate")
