| SpectraBase Spectrum ID |
IOvzRldey8Q |
| Name |
L-Proline, N-(octanoyl)-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.277344052 u |
| Formula |
C20H37NO3 |
| InChI |
InChI=1S/C20H37NO3/c1-3-5-7-9-11-15-19(22)21-16-13-14-18(21)20(23)24-17-12-10-8-6-4-2/h18H,3-17H2,1-2H3 |
| InChIKey |
KXWHCGVPHFKZMV-UHFFFAOYSA-N |
| Molecular Weight |
339.520 g/mol |
| SMILES |
C(CCCCC(N1CCCC1C(=O)OCCCCCCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961553 |
