| SpectraBase Spectrum ID |
BTNE4U42Yaq |
| Name |
Alanine, N-methyl-N-methoxycarbonyl-, octadecyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-23(26)22(2)25(3)24(27)28-4/h22H,5-21H2,1-4H3 |
| InChIKey |
VNLCECATVJKBCK-UHFFFAOYSA-N |
| Molecular Weight |
413.643 g/mol |
| SMILES |
C(CCOC(C(N(C)C(OC)=O)C)=O)CCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942376 |
