| SpectraBase Spectrum ID |
JvoqSIZbQo4 |
| Name |
Isonipecotic acid, N-(2-fluoro-3-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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-37-28(36)23-18-20-34(21-19-23)27(35)24-16-15-17-25(26(24)30)29(31,32)33/h15-17,23H,2-14,18-22H2,1H3 |
| InChIKey |
LJEXGCXNJZLKRY-UHFFFAOYSA-N |
| Molecular Weight |
529.661 g/mol |
| SMILES |
CCCCCCCCCCCCCCCOC(C1CCN(C(C2=C(C(=CC=C2)C(F)(F)F)F)=O)CC1)=O |
