| SpectraBase Compound ID | IdwrAPAP7r9 |
|---|---|
| InChI | InChI=1S/C14H16F2O2/c1-11(17)7-5-6-10-14(15,16)13(18)12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3 |
| InChIKey | NSUROLLKHNYZDW-UHFFFAOYSA-N |
| Mol Weight | 254.28 g/mol |
| Molecular Formula | C14H16F2O2 |
| Exact Mass | 254.111836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HwXzZ1SnqmS |
|---|---|
| Name | 2,2-Difluoro-1-phenyl-1,7-octandione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.111836079 u |
| Formula | C14H16F2O2 |
| InChI | InChI=1S/C14H16F2O2/c1-11(17)7-5-6-10-14(15,16)13(18)12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3 |
| InChIKey | NSUROLLKHNYZDW-UHFFFAOYSA-N |
| Molecular Weight | 254.277 g/mol |
| SMILES | C(C(=O)C=1C=CC=CC1)(F)(F)CCCCC(=O)C |