| SpectraBase Spectrum ID |
ZdU9PNdDGd |
| Name |
Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-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/c1-2-3-15-34-23(33)17-9-13-29(14-10-17)21(31)16-7-11-30(12-8-16)22(32)18-5-4-6-19(20(18)25)24(26,27)28/h4-6,16-17H,2-3,7-15H2,1H3 |
| InChIKey |
VZPZXUCDIIFXLM-UHFFFAOYSA-N |
| Molecular Weight |
486.508 g/mol |
| SMILES |
CCCCOC(C1CCN(CC1)C(C1CCN(C(C2=C(C(C(F)(F)F)=CC=C2)F)=O)CC1)=O)=O |
