| SpectraBase Spectrum ID |
EBXwLGalK9e |
| Name |
2,6-Pyridinedicarboxylic acid, 3-methylpent-2-yl octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.240958543 u |
| Formula |
C21H33NO4 |
| InChI |
InChI=1S/C21H33NO4/c1-5-7-8-9-10-11-15-25-20(23)18-13-12-14-19(22-18)21(24)26-17(4)16(3)6-2/h12-14,16-17H,5-11,15H2,1-4H3 |
| InChIKey |
JOKHPMCNMLYKDH-UHFFFAOYSA-N |
| Molecular Weight |
363.498 g/mol |
| SMILES |
CC(OC(C1=NC(C(OCCCCCCCC)=O)=CC=C1)=O)C(CC)C |
