| SpectraBase Spectrum ID |
ItNTb0DdpQB |
| Name |
2,6-Pyridinedicarboxylic acid, di(3-(2-methoxyethyl)nonyl) ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
535.387288425 u |
| Formula |
C31H53NO6 |
| InChI |
InChI=1S/C31H53NO6/c1-5-7-9-11-14-26(18-22-35-3)20-24-37-30(33)28-16-13-17-29(32-28)31(34)38-25-21-27(19-23-36-4)15-12-10-8-6-2/h13,16-17,26-27H,5-12,14-15,18-25H2,1-4H3 |
| InChIKey |
NKGUMMSUBQJIJS-UHFFFAOYSA-N |
| Molecular Weight |
535.766 g/mol |
| SMILES |
COCCC(CCOC(C1=NC(C(OCCC(CCOC)CCCCCC)=O)=CC=C1)=O)CCCCCC |
