| SpectraBase Spectrum ID |
1kg8ag3Aq7g |
| Name |
4-Fluoro-3-trifluoromethylbenzoic acid, 3-dodecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.202542792 u |
| Formula |
C20H28F4O2 |
| InChI |
InChI=1S/C20H28F4O2/c1-3-5-6-7-8-9-10-11-16(4-2)26-19(25)15-12-13-18(21)17(14-15)20(22,23)24/h12-14,16H,3-11H2,1-2H3 |
| InChIKey |
VTBRERMEPPJGIO-UHFFFAOYSA-N |
| Molecular Weight |
376.436 g/mol |
| SMILES |
C1(=CC=C(C=C1C(F)(F)F)C(OC(CC)CCCCCCCCC)=O)F |
