| SpectraBase Spectrum ID |
DqTQkVez9aK |
| Name |
Isonipecotinoylisonipecotic acid, N'-(2-fluoro-5-trifluoromethylbenzoyl)-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.182869973 u |
| Formula |
C22H26F4N2O4 |
| InChI |
InChI=1S/C22H26F4N2O4/c1-2-32-21(31)15-7-11-27(12-8-15)19(29)14-5-9-28(10-6-14)20(30)17-13-16(22(24,25)26)3-4-18(17)23/h3-4,13-15H,2,5-12H2,1H3 |
| InChIKey |
FANQHTRGBYKXDM-UHFFFAOYSA-N |
| Molecular Weight |
458.454 g/mol |
| SMILES |
C(C1CCN(CC1)C(C1CCN(C(=O)C2=C(C=CC(=C2)C(F)(F)F)F)CC1)=O)(=O)OCC |
