| SpectraBase Spectrum ID |
K7ysjkXEGRx |
| Name |
Isonipecotic acid, N-(2-trifluoromethylbenzoyl)-, isohexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.186478187 u |
| Formula |
C20H26F3NO3 |
| InChI |
InChI=1S/C20H26F3NO3/c1-14(2)6-5-13-27-19(26)15-9-11-24(12-10-15)18(25)16-7-3-4-8-17(16)20(21,22)23/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3 |
| InChIKey |
AGMZJPQJERAYQX-UHFFFAOYSA-N |
| Molecular Weight |
385.427 g/mol |
| SMILES |
CC(C)CCCOC(C1CCN(C(C2=C(C(F)(F)F)C=CC=C2)=O)CC1)=O |
