| SpectraBase Spectrum ID |
926rzRX1TiV |
| Name |
L-Proline, N-octanoyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.418194632 u |
| Formula |
C29H55NO3 |
| InChI |
InChI=1S/C29H55NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-26-33-29(32)27-23-22-25-30(27)28(31)24-20-18-8-6-4-2/h27H,3-26H2,1-2H3 |
| InChIKey |
PXNYPNSQIACAIU-UHFFFAOYSA-N |
| Molecular Weight |
465.763 g/mol |
| SMILES |
C(CCC(N1CCCC1C(=O)OCCCCCCCCCCCCCCCC)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947303 |
