| SpectraBase Spectrum ID |
9v5ZhKsEWPq |
| Name |
Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, hexadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
543.333556962 u |
| Formula |
C30H45F4NO3 |
| InChI |
InChI=1S/C30H45F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-38-29(37)24-18-20-35(21-19-24)28(36)26-17-16-25(31)23-27(26)30(32,33)34/h16-17,23-24H,2-15,18-22H2,1H3 |
| InChIKey |
CUUJRQFEXHYVLS-UHFFFAOYSA-N |
| Molecular Weight |
543.688 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCOC(C1CCN(C(=O)C=2C=CC(=CC2C(F)(F)F)F)CC1)=O |
