| SpectraBase Spectrum ID |
KQZDvpkHdyX |
| Name |
L-Alanine, N-butoxycarbonyl-, heptadecyl 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/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-24(27)23(3)26-25(28)30-21-7-5-2/h23H,4-22H2,1-3H3,(H,26,28) |
| InChIKey |
BXQDKVWRHUJVPZ-UHFFFAOYSA-N |
| Molecular Weight |
427.670 g/mol |
| SMILES |
CCCCOC(=O)NC(C)C(OCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910817 |
