| SpectraBase Spectrum ID |
3zldXrI60OE |
| Name |
N-(Ethoxycarbonyl)-L-asparic acid .alpha.-methyl ester .beta.-semialdehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.079372518 u |
| Formula |
C8H13NO5 |
| InChI |
InChI=1S/C8H13NO5/c1-3-14-8(12)9-6(4-5-10)7(11)13-2/h5-6H,3-4H2,1-2H3,(H,9,12)/t6-/m0/s1 |
| InChIKey |
XDJCKPAVVQSDRV-LURJTMIESA-N |
| Molecular Weight |
203.194 g/mol |
| SMILES |
C(N[C@](C(=O)OC)(CC=O)[H])(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979838 |
