| SpectraBase Spectrum ID |
EcRGcOD01qn |
| Name |
Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
571.364857091 u |
| Formula |
C32H49F4NO3 |
| InChI |
InChI=1S/C32H49F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-40-31(39)26-20-22-37(23-21-26)30(38)28-25-27(32(34,35)36)18-19-29(28)33/h18-19,25-26H,2-17,20-24H2,1H3 |
| InChIKey |
CFAXWFJTWBUWFS-UHFFFAOYSA-N |
| Molecular Weight |
571.742 g/mol |
| SMILES |
C(C1=CC=C(C(=C1)C(N1CCC(C(OCCCCCCCCCCCCCCCCCC)=O)CC1)=O)F)(F)(F)F |
