| SpectraBase Spectrum ID |
99vnebafOxs |
| Name |
L-Proline, N-valeryl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.371244439 u |
| Formula |
C26H49NO3 |
| InChI |
InChI=1S/C26H49NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-30-26(29)24-20-19-22-27(24)25(28)21-6-4-2/h24H,3-23H2,1-2H3 |
| InChIKey |
HQURAHIWMBYIED-UHFFFAOYSA-N |
| Molecular Weight |
423.682 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCOC(C1CCCN1C(=O)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953406 |
