| SpectraBase Spectrum ID |
LPOsRRF7cG2 |
| Name |
L-Aspartic acid, N-ethoxycarbonyl-, C(1)-methyl ester, C(4)-ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.105587265 u |
| Formula |
C10H17NO6 |
| InChI |
InChI=1S/C10H17NO6/c1-4-16-8(12)6-7(9(13)15-3)11-10(14)17-5-2/h7H,4-6H2,1-3H3,(H,11,14) |
| InChIKey |
MHUZFGOJPPXHDM-UHFFFAOYSA-N |
| Molecular Weight |
247.247 g/mol |
| SMILES |
C(C(C(OC)=O)NC(OCC)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942258 |
