| SpectraBase Spectrum ID |
KHq4dqsjxIl |
| Name |
Isonipecotinoylisonipecotic acid, N'-(2-fluoro-3-trifluoromethylbenzoyl)-, isobutyl 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/c1-15(2)14-34-23(33)17-8-12-29(13-9-17)21(31)16-6-10-30(11-7-16)22(32)18-4-3-5-19(20(18)25)24(26,27)28/h3-5,15-17H,6-14H2,1-2H3 |
| InChIKey |
MYOXCXVCZHOUMO-UHFFFAOYSA-N |
| Molecular Weight |
486.508 g/mol |
| SMILES |
CC(C)COC(C1CCN(C(C2CCN(C(=O)C3=CC=CC(=C3F)C(F)(F)F)CC2)=O)CC1)=O |
