| SpectraBase Spectrum ID |
BFepNi58i36 |
| Name |
Isonipecotic acid, N-(3-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
515.302256833 u |
| Formula |
C28H41F4NO3 |
| InChI |
InChI=1S/C28H41F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-36-27(35)22-14-16-33(17-15-22)26(34)23-19-24(28(30,31)32)21-25(29)20-23/h19-22H,2-18H2,1H3 |
| InChIKey |
AQEKPCXXZVKMRJ-UHFFFAOYSA-N |
| Molecular Weight |
515.634 g/mol |
| SMILES |
CCCCCCCCCCCCCCOC(C1CCN(C(C2=CC(C(F)(F)F)=CC(=C2)F)=O)CC1)=O |
