| SpectraBase Spectrum ID |
DmZc3wYMLYb |
| Name |
Isobutyl 3-(trifluoromethyl)benzoate |
| Alternate Name(s) |
3-Trifluoromethylbenzoic acid, isobutyl ester
3-(trifluoromethyl)benzoic acid 2-methylpropyl ester
2-Methylpropyl 3-(trifluoromethyl)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13F3O2 |
| InChI |
InChI=1S/C12H13F3O2/c1-8(2)7-17-11(16)9-4-3-5-10(6-9)12(13,14)15/h3-6,8H,7H2,1-2H3 |
| InChIKey |
OTALXJOKSOHGHD-UHFFFAOYSA-N |
| Molecular Weight |
246.229 g/mol |
| SMILES |
c1cc(C(OCC(C)C)=O)cc(c1)C(F)(F)F |
| SPLASH |
splash10-05fs-3900000000-5a113540a9ea5a6164ee |
| Source of Spectrum |
NP-6-8464-0 |
| Wiley ID |
1106061 |
