| SpectraBase Spectrum ID |
1B9kpmmCpsN |
| Name |
2,6-Pyridinedicarboxylic acid, di(2-(2-methoxyethyl)heptyl) ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
479.324688167 u |
| Formula |
C27H45NO6 |
| InChI |
InChI=1S/C27H45NO6/c1-5-7-9-12-22(16-18-31-3)20-33-26(29)24-14-11-15-25(28-24)27(30)34-21-23(17-19-32-4)13-10-8-6-2/h11,14-15,22-23H,5-10,12-13,16-21H2,1-4H3 |
| InChIKey |
WRGRSECEIWPOMB-UHFFFAOYSA-N |
| Molecular Weight |
479.658 g/mol |
| SMILES |
COCCC(COC(C=1N=C(C(OCC(CCCCC)CCOC)=O)C=CC1)=O)CCCCC |
