| SpectraBase Spectrum ID |
Je0S1Ai8Il7 |
| Name |
L-Aspartic acid, N,N-di(N-propyl)-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.162708221 u |
| Formula |
C12H23NO4 |
| InChI |
InChI=1S/C12H23NO4/c1-5-7-13(8-6-2)10(12(15)17-4)9-11(14)16-3/h10H,5-9H2,1-4H3 |
| InChIKey |
HREGSIYMEFATAK-UHFFFAOYSA-N |
| Molecular Weight |
245.319 g/mol |
| SMILES |
COC(=O)CC(N(CCC)CCC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971537 |
