| SpectraBase Spectrum ID |
1pJWt31o5w |
| Name |
2,6-Pyridinedicarboxylic acid, 2,4,5-trifluorobenzyl heptyl ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22F3NO4 |
| InChI |
InChI=1S/C21H22F3NO4/c1-2-3-4-5-6-10-28-20(26)18-8-7-9-19(25-18)21(27)29-13-14-11-16(23)17(24)12-15(14)22/h7-9,11-12H,2-6,10,13H2,1H3 |
| InChIKey |
WPSOQHNGZCMDBX-UHFFFAOYSA-N |
| Molecular Weight |
409.405 g/mol |
| SMILES |
C(OC(c1nc(ccc1)C(OCc1c(cc(c(c1)F)F)F)=O)=O)CCCCCC |
| SPLASH |
splash10-05fs-3910000000-e27b1ac7473ac00b7ab4 |
| Source of Spectrum |
TIPS-2023-908-0 |
| Wiley ID |
1885614 |
