| SpectraBase Compound ID | EfGniG96lxH |
|---|---|
| InChI | InChI=1S/C13H13F5O2/c1-5(13(2,3)4)20-12(19)6-7(14)9(16)11(18)10(17)8(6)15/h5H,1-4H3 |
| InChIKey | QCZYAHQSOHQGSI-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 | 7lIqw5A5Ap2 |
|---|---|
| Name | 3,3-Dimethylbutan-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(13(2,3)4)20-12(19)6-7(14)9(16)11(18)10(17)8(6)15/h5H,1-4H3 |
| InChIKey | QCZYAHQSOHQGSI-UHFFFAOYSA-N |
| Molecular Weight | 296.237 g/mol |
| SMILES | C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OC(C)C(C)(C)C |