| SpectraBase Spectrum ID |
JZ5m6FeIvFg |
| Name |
Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, undecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.255306640 u |
| Formula |
C25H35F4NO3 |
| InChI |
InChI=1S/C25H35F4NO3/c1-2-3-4-5-6-7-8-9-10-15-33-24(32)19-11-13-30(14-12-19)23(31)20-16-21(25(27,28)29)18-22(26)17-20/h16-19H,2-15H2,1H3 |
| InChIKey |
PCZQXDDQQLYSEG-UHFFFAOYSA-N |
| Molecular Weight |
473.553 g/mol |
| SMILES |
CCCCCCCCCCCOC(C1CCN(C(C2=CC(C(F)(F)F)=CC(=C2)F)=O)CC1)=O |
