| SpectraBase Spectrum ID |
4F1UBqmUHUU |
| Name |
L-Aspartic acid, N-ethoxycarbonyl-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.121237330 u |
| Formula |
C11H19NO6 |
| InChI |
InChI=1S/C11H19NO6/c1-4-16-9(13)7-8(10(14)17-5-2)12-11(15)18-6-3/h8H,4-7H2,1-3H3,(H,12,15) |
| InChIKey |
RHWFYNFNGQRNDD-UHFFFAOYSA-N |
| Molecular Weight |
261.274 g/mol |
| SMILES |
C(C(C(OCC)=O)NC(OCC)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96668 |
