| SpectraBase Spectrum ID |
7Xl90IA6Ytk |
| Name |
L-Alanine, N-ethoxycarbonyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
217.131408092 u |
| Formula |
C10H19NO4 |
| InChI |
InChI=1S/C10H19NO4/c1-5-14-10(13)11-8(4)9(12)15-6-7(2)3/h7-8H,5-6H2,1-4H3,(H,11,13) |
| InChIKey |
XMSSJFKGBPQBEP-UHFFFAOYSA-N |
| Molecular Weight |
217.265 g/mol |
| SMILES |
CCOC(NC(C(OCC(C)C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83606 |
