| SpectraBase Spectrum ID |
L4BgE7h52BG |
| Name |
dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.366159058 u |
| Formula |
C25H49NO4 |
| InChI |
InChI=1S/C25H49NO4/c1-6-9-11-12-13-14-15-16-17-18-20-29-24(27)22(4)26(5)25(28)30-21-23(8-3)19-10-7-2/h22-23H,6-21H2,1-5H3 |
| InChIKey |
GVANWNOWQOTEGZ-UHFFFAOYSA-N |
| Molecular Weight |
427.670 g/mol |
| SMILES |
CC(N(C)C(=O)OCC(CCCC)CC)C(=O)OCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946477 |
