SpectraBase Spectrum ID |
IzrwNGzYClB |
Name |
Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, pentadecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
529.317906898 u |
Formula |
C29H43F4NO3 |
InChI |
InChI=1S/C29H43F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-37-28(36)23-17-19-34(20-18-23)27(35)25-22-24(29(31,32)33)15-16-26(25)30/h15-16,22-23H,2-14,17-21H2,1H3 |
InChIKey |
NGVDJEWTIOEWMP-UHFFFAOYSA-N |
Molecular Weight |
529.661 g/mol |
SMILES |
CCCCCCCCCCCCCCCOC(C1CCN(C(C2=CC(C(F)(F)F)=CC=C2F)=O)CC1)=O |