| SpectraBase Spectrum ID |
GwxdmSxZgYK |
| Name |
L-Alanine, 3-cyano-, N-methoxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.064056806 u |
| Formula |
C7H10N2O4 |
| InChI |
InChI=1S/C7H10N2O4/c1-12-6(10)5(3-4-8)9-7(11)13-2/h5H,3H2,1-2H3,(H,9,11) |
| InChIKey |
JDHATAMKTAGEMW-UHFFFAOYSA-N |
| Molecular Weight |
186.167 g/mol |
| SMILES |
C(=O)(OC)C(NC(OC)=O)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977698 |
