| SpectraBase Spectrum ID |
1uzc1YOS2NL |
| Name |
L-Proline, N-(3-phenylpropionyl)-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.355594374 u |
| Formula |
C29H47NO3 |
| InChI |
InChI=1S/C29H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-33-29(32)27-21-18-24-30(27)28(31)23-22-26-19-15-14-16-20-26/h14-16,19-20,27H,2-13,17-18,21-25H2,1H3 |
| InChIKey |
CTPALQHPNYXGJH-UHFFFAOYSA-N |
| Molecular Weight |
457.699 g/mol |
| SMILES |
C1=C(C=CC=C1)CCC(N1CCCC1C(=O)OCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880996 |
