| SpectraBase Spectrum ID |
EdpPjSfZuBR |
| Name |
2,6-Pyridinedicarboxylic acid, hexyl 2-methylphenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.162708221 u |
| Formula |
C20H23NO4 |
| InChI |
InChI=1S/C20H23NO4/c1-3-4-5-8-14-24-19(22)16-11-9-12-17(21-16)20(23)25-18-13-7-6-10-15(18)2/h6-7,9-13H,3-5,8,14H2,1-2H3 |
| InChIKey |
FGTDKTYFSXGXAY-UHFFFAOYSA-N |
| Molecular Weight |
341.407 g/mol |
| SMILES |
C1=CC=C(C(=C1)OC(C1=NC(C(OCCCCCC)=O)=CC=C1)=O)C |
