| SpectraBase Spectrum ID |
9agkW4vtR96 |
| Name |
2,6-Pyridinedicarboxylic acid, 3-methylbutyl tridecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-19-29-24(27)22-16-15-17-23(26-22)25(28)30-20-18-21(2)3/h15-17,21H,4-14,18-20H2,1-3H3 |
| InChIKey |
LMYXAQQGTAVMIA-UHFFFAOYSA-N |
| Molecular Weight |
419.606 g/mol |
| SMILES |
CC(CCOC(C1=NC(C(OCCCCCCCCCCCCC)=O)=CC=C1)=O)C |
