| SpectraBase Spectrum ID |
APAXgkfm4MA |
| Name |
Alanine, N-methyl-N-propoxycarbonyl-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.147058156 u |
| Formula |
C11H21NO4 |
| InChI |
InChI=1S/C11H21NO4/c1-5-7-15-10(13)9(3)12(4)11(14)16-8-6-2/h9H,5-8H2,1-4H3 |
| InChIKey |
AZXDXUDAEUJPQW-UHFFFAOYSA-N |
| Molecular Weight |
231.292 g/mol |
| SMILES |
CCCOC(N(C(C)C(OCCC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964901 |
