| SpectraBase Spectrum ID |
3KrgUrVBqhi |
| Name |
Isonipecotinoylisonipecotic acid, N'-(2-fluoro-5-trifluoromethylbenzoyl)-, butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.214170102 u |
| Formula |
C24H30F4N2O4 |
| InChI |
InChI=1S/C24H30F4N2O4/c1-2-3-14-34-23(33)17-8-12-29(13-9-17)21(31)16-6-10-30(11-7-16)22(32)19-15-18(24(26,27)28)4-5-20(19)25/h4-5,15-17H,2-3,6-14H2,1H3 |
| InChIKey |
LJZCFNOQZGXAID-UHFFFAOYSA-N |
| Molecular Weight |
486.508 g/mol |
| SMILES |
CCCCOC(C1CCN(CC1)C(C1CCN(C(C2=CC(C(F)(F)F)=CC=C2F)=O)CC1)=O)=O |
