| SpectraBase Compound ID | FC4wgrH0SrJ |
|---|---|
| InChI | InChI=1S/C11H9F5O2/c1-11(2,3)18-10(17)4-5(12)7(14)9(16)8(15)6(4)13/h1-3H3 |
| InChIKey | MWMSVYICOCCEKL-UHFFFAOYSA-N |
| Mol Weight | 268.18 g/mol |
| Molecular Formula | C11H9F5O2 |
| Exact Mass | 268.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oy7qSuZFWW |
|---|---|
| Name | T-Butyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.052270343 u |
| Formula | C11H9F5O2 |
| InChI | InChI=1S/C11H9F5O2/c1-11(2,3)18-10(17)4-5(12)7(14)9(16)8(15)6(4)13/h1-3H3 |
| InChIKey | MWMSVYICOCCEKL-UHFFFAOYSA-N |
| Molecular Weight | 268.183 g/mol |
| SMILES | C=1(C(=C(F)C(=C(C1F)F)F)F)C(OC(C)(C)C)=O |