| SpectraBase Spectrum ID |
87t8dii8MWA |
| Name |
(S)-(+)-2-oxo-4-phenyl-3-oxazolidineacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.068807834 u |
| Formula |
C11H11NO4 |
| InChI |
InChI=1S/C11H11NO4/c13-10(14)6-12-9(7-16-11(12)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)/t9-/m1/s1 |
| InChIKey |
PUKMRNJLFMISMT-SECBINFHSA-N |
| Molecular Weight |
221.212 g/mol |
| SMILES |
C1(N([C@](CO1)(C1=CC=CC=C1)[H])CC(=O)O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.989709 |
