| SpectraBase Spectrum ID |
1RbWrTWjlkB |
| Name |
2,6-Pyridinedicarboxylic acid, dodecyl 2-methylpentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.303558800 u |
| Formula |
C25H41NO4 |
| InChI |
InChI=1S/C25H41NO4/c1-4-6-7-8-9-10-11-12-13-14-19-29-24(27)22-17-15-18-23(26-22)25(28)30-20-21(3)16-5-2/h15,17-18,21H,4-14,16,19-20H2,1-3H3 |
| InChIKey |
FNBKFUFZXVNEQZ-UHFFFAOYSA-N |
| Molecular Weight |
419.606 g/mol |
| SMILES |
CCCCCCCCCCCCOC(C=1N=C(C(OCC(CCC)C)=O)C=CC1)=O |
