| SpectraBase Spectrum ID |
CBVGt6rQsRI |
| Name |
2,6-Pyridinedicarboxylic acid, heptyl 3-(2-methoxyethyl)heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.282823355 u |
| Formula |
C24H39NO5 |
| InChI |
InChI=1S/C24H39NO5/c1-4-6-8-9-10-17-29-23(26)21-13-11-14-22(25-21)24(27)30-19-16-20(12-7-5-2)15-18-28-3/h11,13-14,20H,4-10,12,15-19H2,1-3H3 |
| InChIKey |
GSHFSZCHYAFOQK-UHFFFAOYSA-N |
| Molecular Weight |
421.578 g/mol |
| SMILES |
COCCC(CCOC(C1=NC(C(OCCCCCCC)=O)=CC=C1)=O)CCCC |
