| SpectraBase Spectrum ID |
3rau1GhAQxc |
| Name |
Pipecolic acid, N-hexyloxycarbonyl-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.272258671 u |
| Formula |
C20H37NO4 |
| InChI |
InChI=1S/C20H37NO4/c1-3-5-7-9-13-16-24-19(22)18-14-10-11-15-21(18)20(23)25-17-12-8-6-4-2/h18H,3-17H2,1-2H3 |
| InChIKey |
MYSBCSVOAKWDJN-UHFFFAOYSA-N |
| Molecular Weight |
355.519 g/mol |
| SMILES |
C1CCN(C(C1)C(OCCCCCCC)=O)C(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873018 |
