| SpectraBase Compound ID | GH02GY6Tdjk |
|---|---|
| InChI | InChI=1S/C12H11F5O2/c1-3-4-5(2)19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h5H,3-4H2,1-2H3 |
| InChIKey | BKCNCJFSIBDJLT-UHFFFAOYSA-N |
| Mol Weight | 282.21 g/mol |
| Molecular Formula | C12H11F5O2 |
| Exact Mass | 282.06792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JwZsRUpSuY2 |
|---|---|
| Name | Pentafluorobenzoic acid, 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.067920407 u |
| Formula | C12H11F5O2 |
| InChI | InChI=1S/C12H11F5O2/c1-3-4-5(2)19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h5H,3-4H2,1-2H3 |
| InChIKey | BKCNCJFSIBDJLT-UHFFFAOYSA-N |
| Molecular Weight | 282.210 g/mol |
| SMILES | CCCC(C)OC(=O)C1=C(F)C(=C(C(=C1F)F)F)F |