| SpectraBase Spectrum ID |
yXlLA9Tbgr |
| Name |
Ethyl (S)-4-cyano-3-hydroxybutanoate, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
199.084457899 u |
| Formula |
C9H13NO4 |
| InChI |
InChI=1S/C9H13NO4/c1-3-13-9(12)6-8(4-5-10)14-7(2)11/h8H,3-4,6H2,1-2H3/t8-/m0/s1 |
| InChIKey |
AEQKWJLQLHITKP-QMMMGPOBSA-N |
| Molecular Weight |
199.206 g/mol |
| SMILES |
C(C[C@](CC#N)(OC(=O)C)[H])(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975957 |
