| SpectraBase Compound ID | KNyRccGKMaB |
|---|---|
| InChI | InChI=1S/C13H5F5O3/c14-8-7(9(15)11(17)12(18)10(8)16)13(20)21-6-3-1-2-5(19)4-6/h1-4,19H |
| InChIKey | PQBAZVCLYULWQE-UHFFFAOYSA-N |
| Mol Weight | 304.17 g/mol |
| Molecular Formula | C13H5F5O3 |
| Exact Mass | 304.015885 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IEjFONObUUf |
|---|---|
| Name | 1,3-Benzenediol, o-pentafluorobenzoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.015884833 u |
| Formula | C13H5F5O3 |
| InChI | InChI=1S/C13H5F5O3/c14-8-7(9(15)11(17)12(18)10(8)16)13(20)21-6-3-1-2-5(19)4-6/h1-4,19H |
| InChIKey | PQBAZVCLYULWQE-UHFFFAOYSA-N |
| Molecular Weight | 304.172 g/mol |
| SMILES | C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OC1=CC=CC(=C1)O |