| SpectraBase Spectrum ID |
J4lyiMw1twx |
| Name |
Pipecolic acid, N-octyloxycarbonyl-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.303558800 u |
| Formula |
C22H41NO4 |
| InChI |
InChI=1S/C22H41NO4/c1-3-5-7-9-11-15-19-27-22(25)23-17-13-12-16-20(23)21(24)26-18-14-10-8-6-4-2/h20H,3-19H2,1-2H3 |
| InChIKey |
GADLLBHFIKEAOF-UHFFFAOYSA-N |
| Molecular Weight |
383.573 g/mol |
| SMILES |
C1CCN(C(C1)C(OCCCCCCC)=O)C(OCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80463 |
