| SpectraBase Spectrum ID |
2Ijmyyt6Isq |
| Name |
Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tridecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
501.286606769 u |
| Formula |
C27H39F4NO3 |
| InChI |
InChI=1S/C27H39F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-20-35-26(34)21-16-18-32(19-17-21)25(33)22-14-13-15-23(24(22)28)27(29,30)31/h13-15,21H,2-12,16-20H2,1H3 |
| InChIKey |
VYJVGNJPRBRFND-UHFFFAOYSA-N |
| Molecular Weight |
501.607 g/mol |
| SMILES |
CCCCCCCCCCCCCOC(C1CCN(C(C2=C(C(C(F)(F)F)=CC=C2)F)=O)CC1)=O |
