| SpectraBase Compound ID | 6sL0EA7Q812 |
|---|---|
| InChI | InChI=1S/C12H10ClFO3/c1-12(2)10(9(14)11(15)17-12)16-8-5-3-7(13)4-6-8/h3-6H,1-2H3 |
| InChIKey | XENGIEJIJXUNQL-UHFFFAOYSA-N |
| Mol Weight | 256.66 g/mol |
| Molecular Formula | C12H10ClFO3 |
| Exact Mass | 256.03025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6az17gYerX |
|---|---|
| Name | 4-(4-Chloranylphenoxy)-3-fluoranyl-5,5-dimethyl-furan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.030250042 u |
| Formula | C12H10ClFO3 |
| InChI | InChI=1S/C12H10ClFO3/c1-12(2)10(9(14)11(15)17-12)16-8-5-3-7(13)4-6-8/h3-6H,1-2H3 |
| InChIKey | XENGIEJIJXUNQL-UHFFFAOYSA-N |
| Molecular Weight | 256.660 g/mol |
| SMILES | C1(=C(C(C)(C)OC1=O)OC1=CC=C(C=C1)Cl)F |