| SpectraBase Spectrum ID |
H9T57s4qj0J |
| Name |
Alanine, N-methyl-N-butoxycarbonyl-, pentadecyl 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/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-28-23(26)22(3)25(4)24(27)29-20-8-6-2/h22H,5-21H2,1-4H3 |
| InChIKey |
ANSXONZDBNSGQH-UHFFFAOYSA-N |
| Molecular Weight |
413.643 g/mol |
| SMILES |
CCCCOC(N(C)C(C)C(OCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87874 |
