SpectraBase Spectrum ID |
7IHjjOfUl2m |
Name |
Isonipecotic acid, N-(3-trifluoromethylbenzoyl)-, undecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
455.264728509 u |
Formula |
C25H36F3NO3 |
InChI |
InChI=1S/C25H36F3NO3/c1-2-3-4-5-6-7-8-9-10-18-32-24(31)20-14-16-29(17-15-20)23(30)21-12-11-13-22(19-21)25(26,27)28/h11-13,19-20H,2-10,14-18H2,1H3 |
InChIKey |
KGWWJTYARVRJGI-UHFFFAOYSA-N |
Molecular Weight |
455.562 g/mol |
SMILES |
CCCCCCCCCCCOC(C1CCN(C(C2=CC(C(F)(F)F)=CC=C2)=O)CC1)=O |