| SpectraBase Spectrum ID |
52I0Te1eYj3 |
| Name |
L-Aspartic acid, N-(2-methylbutyl)-, dimethyl 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/c1-5-8(2)7-12-9(11(14)16-4)6-10(13)15-3/h8-9,12H,5-7H2,1-4H3 |
| InChIKey |
VBDKUJVTYDOVKO-UHFFFAOYSA-N |
| Molecular Weight |
231.292 g/mol |
| SMILES |
COC(=O)CC(NCC(CC)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962562 |
