| SpectraBase Spectrum ID |
Dte5SVrVuet |
| Name |
Pipecolic acid, N-butoxycarbonyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
481.413109251 u |
| Formula |
C29H55NO4 |
| InChI |
InChI=1S/C29H55NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-33-28(31)27-23-20-21-24-30(27)29(32)34-25-6-4-2/h27H,3-26H2,1-2H3 |
| InChIKey |
FIYFPPLSJVLGKX-UHFFFAOYSA-N |
| Molecular Weight |
481.762 g/mol |
| SMILES |
C1CCN(C(C1)C(OCCCCCCCCCCCCCCCCCC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896943 |
