| SpectraBase Spectrum ID |
KPXdvMQjLSl |
| Name |
L-Alanine, 3-cyano-, N-(N-propyloxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.095356935 u |
| Formula |
C9H14N2O4 |
| InChI |
InChI=1S/C9H14N2O4/c1-3-6-15-9(13)11-7(4-5-10)8(12)14-2/h7H,3-4,6H2,1-2H3,(H,11,13) |
| InChIKey |
TWACUWONSYTJCY-UHFFFAOYSA-N |
| Molecular Weight |
214.221 g/mol |
| SMILES |
C(=O)(OC)C(NC(OCCC)=O)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958604 |
