| SpectraBase Spectrum ID |
4OgXnPTHdTt |
| Name |
L-Proline, N-octanoyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.355594374 u |
| Formula |
C25H47NO3 |
| InChI |
InChI=1S/C25H47NO3/c1-3-5-7-9-10-11-12-13-15-17-22-29-25(28)23-19-18-21-26(23)24(27)20-16-14-8-6-4-2/h23H,3-22H2,1-2H3 |
| InChIKey |
GTJZHSSAHUXOSW-UHFFFAOYSA-N |
| Molecular Weight |
409.655 g/mol |
| SMILES |
C(CCC(N1CCCC1C(=O)OCCCCCCCCCCCC)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963893 |
