| SpectraBase Spectrum ID |
I7cjpBwrHXq |
| Name |
L-Alanine, 3-cyano-, N-isopropyloxycarbonyl-, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.126657064 u |
| Formula |
C11H18N2O4 |
| InChI |
InChI=1S/C11H18N2O4/c1-7(2)16-10(14)9(5-6-12)13-11(15)17-8(3)4/h7-9H,5H2,1-4H3,(H,13,15) |
| InChIKey |
CITIRBGAULCDOC-UHFFFAOYSA-N |
| Molecular Weight |
242.275 g/mol |
| SMILES |
C(=O)(OC(C)C)C(NC(OC(C)C)=O)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915896 |
