| SpectraBase Spectrum ID |
Lc0yvFg6QC |
| Name |
Pipecolic acid, N-butoxycarbonyl-, tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.334858929 u |
| Formula |
C24H45NO4 |
| InChI |
InChI=1S/C24H45NO4/c1-3-5-7-8-9-10-11-12-13-14-17-21-28-23(26)22-18-15-16-19-25(22)24(27)29-20-6-4-2/h22H,3-21H2,1-2H3 |
| InChIKey |
QXRCBZLPETVCCA-UHFFFAOYSA-N |
| Molecular Weight |
411.627 g/mol |
| SMILES |
C1CCN(C(C1)C(OCCCCCCCCCCCCC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830684 |
