| SpectraBase Spectrum ID |
FjCGJ4HS91w |
| Name |
Isonipecotic acid, N-(3-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)5-4-12-27-19(26)15-8-10-24(11-9-15)18(25)16-6-3-7-17(13-16)20(21,22)23/h3,6-7,13-15H,4-5,8-12H2,1-2H3 |
| InChIKey |
DUYNGVVWHOUCDY-UHFFFAOYSA-N |
| Molecular Weight |
385.427 g/mol |
| SMILES |
CC(C)CCCOC(C1CCN(C(C2=CC(C(F)(F)F)=CC=C2)=O)CC1)=O |
