| SpectraBase Spectrum ID |
2vYcyNI12CO |
| Name |
Isonipecotic acid, N-(3-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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-40-31(39)26-18-20-37(21-19-26)30(38)27-23-28(32(34,35)36)25-29(33)24-27/h23-26H,2-22H2,1H3 |
| InChIKey |
DWEKXTOXRHBAFY-UHFFFAOYSA-N |
| Molecular Weight |
571.742 g/mol |
| SMILES |
C(C1=CC(=CC(=C1)C(N1CCC(C(OCCCCCCCCCCCCCCCCCC)=O)CC1)=O)F)(F)(F)F |
