| SpectraBase Compound ID | KrnL4aIgkBB |
|---|---|
| InChI | InChI=1S/C16H14F2O3/c1-21-13-9-7-12(8-10-13)15(20)16(17,18)14(19)11-5-3-2-4-6-11/h2-10,15,20H,1H3 |
| InChIKey | ZMCUTRKEIOJLDS-UHFFFAOYSA-N |
| Mol Weight | 292.28 g/mol |
| Molecular Formula | C16H14F2O3 |
| Exact Mass | 292.091101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JN5FmU34DWM |
|---|---|
| Name | 2,2-Difluoro-3-hydroxy-3-(4-methoxyphenyl)-1-phenylpropan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.091100634 u |
| Formula | C16H14F2O3 |
| InChI | InChI=1S/C16H14F2O3/c1-21-13-9-7-12(8-10-13)15(20)16(17,18)14(19)11-5-3-2-4-6-11/h2-10,15,20H,1H3 |
| InChIKey | ZMCUTRKEIOJLDS-UHFFFAOYSA-N |
| Molecular Weight | 292.282 g/mol |
| SMILES | C(C(C(C1=CC=C(OC)C=C1)O)(F)F)(C=1C=CC=CC1)=O |