| SpectraBase Spectrum ID |
4jkwjgSR1E0 |
| Name |
Isonipecotic acid, N-(2-fluoro-3-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/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-36-27(35)22-17-19-33(20-18-22)26(34)23-15-14-16-24(25(23)29)28(30,31)32/h14-16,22H,2-13,17-21H2,1H3 |
| InChIKey |
KCXVRHFMRGOJBU-UHFFFAOYSA-N |
| Molecular Weight |
515.634 g/mol |
| SMILES |
CCCCCCCCCCCCCCOC(C1CCN(C(C2=C(C(C(F)(F)F)=CC=C2)F)=O)CC1)=O |
