| SpectraBase Compound ID | 7nqWNrj38Cb |
|---|---|
| InChI | InChI=1S/C13H8F2O3/c14-10-5-2-6-11(15)12(10)13(17)18-9-4-1-3-8(16)7-9/h1-7,16H |
| InChIKey | ZQUFUWBBDYNKIP-UHFFFAOYSA-N |
| Mol Weight | 250.2 g/mol |
| Molecular Formula | C13H8F2O3 |
| Exact Mass | 250.04415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ex02k7FyOeh |
|---|---|
| Name | 1,3-Benzenediol, o-(2,6-difluorobenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.044150441 u |
| Formula | C13H8F2O3 |
| InChI | InChI=1S/C13H8F2O3/c14-10-5-2-6-11(15)12(10)13(17)18-9-4-1-3-8(16)7-9/h1-7,16H |
| InChIKey | ZQUFUWBBDYNKIP-UHFFFAOYSA-N |
| Molecular Weight | 250.201 g/mol |
| SMILES | C1=C(C=C(C=C1)OC(=O)C1=C(C=CC=C1F)F)O |