| SpectraBase Spectrum ID |
4vvURMuQSld |
| Name |
L-Proline, N-(3-cyclopentylpropionyl)-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.261693988 u |
| Formula |
C20H35NO3 |
| InChI |
InChI=1S/C20H35NO3/c1-2-3-4-5-8-16-24-20(23)18-12-9-15-21(18)19(22)14-13-17-10-6-7-11-17/h17-18H,2-16H2,1H3 |
| InChIKey |
LFNFKTDTZOSYSF-UHFFFAOYSA-N |
| Molecular Weight |
337.504 g/mol |
| SMILES |
CCCCCCCOC(C1N(CCC1)C(=O)CCC1CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850988 |
