| SpectraBase Spectrum ID |
CaPaU1hAJPv |
| Name |
2,6-Pyridinedicarboxylic acid, didodecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
503.397459187 u |
| Formula |
C31H53NO4 |
| InChI |
InChI=1S/C31H53NO4/c1-3-5-7-9-11-13-15-17-19-21-26-35-30(33)28-24-23-25-29(32-28)31(34)36-27-22-20-18-16-14-12-10-8-6-4-2/h23-25H,3-22,26-27H2,1-2H3 |
| InChIKey |
DCTIQGQGKWAWCT-UHFFFAOYSA-N |
| Molecular Weight |
503.768 g/mol |
| SMILES |
CCCCCCCCCCCCOC(C=1N=C(C(OCCCCCCCCCCCC)=O)C=CC1)=O |
