| SpectraBase Spectrum ID |
JsckF7dwl9w |
| Name |
L-Alanine, N-valeryl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.371244439 u |
| Formula |
C25H49NO3 |
| InChI |
InChI=1S/C25H49NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-25(28)23(3)26-24(27)21-7-5-2/h23H,4-22H2,1-3H3,(H,26,27) |
| InChIKey |
JWPPQRFKKZHBKE-UHFFFAOYSA-N |
| Molecular Weight |
411.671 g/mol |
| SMILES |
C(C(NC(=O)CCCC)C)(OCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968505 |
