| SpectraBase Spectrum ID |
F32PDLyynUs |
| Name |
Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, propyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.198520038 u |
| Formula |
C23H28F4N2O4 |
| InChI |
InChI=1S/C23H28F4N2O4/c1-2-14-33-22(32)16-8-12-28(13-9-16)20(30)15-6-10-29(11-7-15)21(31)17-4-3-5-18(19(17)24)23(25,26)27/h3-5,15-16H,2,6-14H2,1H3 |
| InChIKey |
UOANNASGLLQXDZ-UHFFFAOYSA-N |
| Molecular Weight |
472.481 g/mol |
| SMILES |
CCCOC(C1CCN(CC1)C(C1CCN(C(C2=C(C(C(F)(F)F)=CC=C2)F)=O)CC1)=O)=O |
