| SpectraBase Spectrum ID |
62LSauhdS5X |
| Name |
dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.350508993 u |
| Formula |
C24H47NO4 |
| InChI |
InChI=1S/C24H47NO4/c1-6-9-11-12-13-14-15-16-17-19-28-23(26)21(4)25(5)24(27)29-20-22(8-3)18-10-7-2/h21-22H,6-20H2,1-5H3 |
| InChIKey |
YJPQQGPKOMNKDX-UHFFFAOYSA-N |
| Molecular Weight |
413.643 g/mol |
| SMILES |
CC(N(C)C(=O)OCC(CCCC)CC)C(=O)OCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940422 |
