| SpectraBase Spectrum ID |
6eqGLMn3wcx |
| Name |
Pipecolic acid, N-hexyloxycarbonyl-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.240958543 u |
| Formula |
C18H33NO4 |
| InChI |
InChI=1S/C18H33NO4/c1-3-5-7-11-15-23-18(21)19-13-9-8-12-16(19)17(20)22-14-10-6-4-2/h16H,3-15H2,1-2H3 |
| InChIKey |
VZZUMZFDCIAPOY-UHFFFAOYSA-N |
| Molecular Weight |
327.465 g/mol |
| SMILES |
C1CCN(C(C1)C(OCCCCC)=O)C(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84617 |
