| SpectraBase Compound ID | KTVKwTyc493 |
|---|---|
| InChI | InChI=1S/C13H13F5O2/c1-5(2)4-6(3)20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h5-6H,4H2,1-3H3 |
| InChIKey | LSAKNAZPUHYCEQ-UHFFFAOYSA-N |
| Mol Weight | 296.24 g/mol |
| Molecular Formula | C13H13F5O2 |
| Exact Mass | 296.08357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZLMngOiUF8 |
|---|---|
| Name | 4-Methylpentan-2-yl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.083570472 u |
| Formula | C13H13F5O2 |
| InChI | InChI=1S/C13H13F5O2/c1-5(2)4-6(3)20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h5-6H,4H2,1-3H3 |
| InChIKey | LSAKNAZPUHYCEQ-UHFFFAOYSA-N |
| Molecular Weight | 296.237 g/mol |
| SMILES | C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OC(C)CC(C)C |