| SpectraBase Spectrum ID |
H5sexApKl2W |
| Name |
2,6-Pyridinedicarboxylic acid, pentadecyl 2-pentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.334858929 u |
| Formula |
C27H45NO4 |
| InChI |
InChI=1S/C27H45NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-22-31-26(29)24-20-18-21-25(28-24)27(30)32-23(3)19-5-2/h18,20-21,23H,4-17,19,22H2,1-3H3 |
| InChIKey |
OVGFDVQXPSIASH-UHFFFAOYSA-N |
| Molecular Weight |
447.660 g/mol |
| SMILES |
CC(OC(C1=NC(C(OCCCCCCCCCCCCCCC)=O)=CC=C1)=O)CCC |
