| SpectraBase Spectrum ID |
ISX907tLOIY |
| Name |
Isopentyl 2,3,4-trifluorobenzoate |
| Alternate Name(s) |
2,3,4-Trifluorobenzoic acid, 3-methylbutyl ester
2,3,4-trifluorobenzoic acid 3-methylbutyl ester
3-Methylbutyl 2,3,4-trifluorobenzoate
3-Methylbutyl 2,3,4-tris(fluoranyl)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13F3O2 |
| InChI |
InChI=1S/C12H13F3O2/c1-7(2)5-6-17-12(16)8-3-4-9(13)11(15)10(8)14/h3-4,7H,5-6H2,1-2H3 |
| InChIKey |
KQKKKTGMOFTTGA-UHFFFAOYSA-N |
| Molecular Weight |
246.229 g/mol |
| SMILES |
c1cc(C(OCCC(C)C)=O)c(c(c1F)F)F |
| SPLASH |
splash10-0ab9-9800000000-e9b7b43083d86fdae0a4 |
| Source of Spectrum |
NP-6-8467-0 |
| Wiley ID |
1106063 |
