| SpectraBase Spectrum ID |
DOaoJtg5UeC |
| Name |
Pipecolic acid, N-hexyloxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
495.428759315 u |
| Formula |
C30H57NO4 |
| InChI |
InChI=1S/C30H57NO4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-23-26-34-29(32)28-24-20-21-25-31(28)30(33)35-27-22-8-6-4-2/h28H,3-27H2,1-2H3 |
| InChIKey |
CLUNGPFLUVGHEH-UHFFFAOYSA-N |
| Molecular Weight |
495.789 g/mol |
| SMILES |
C1CCN(C(C1)C(OCCCCCCCCCCCCCCCCC)=O)C(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928459 |
