| SpectraBase Compound ID | 1JtYnHYhZra |
|---|---|
| InChI | InChI=1S/C13H16F2O3Si/c1-19(2,3)18-13(17)7-6-12(16)9-4-5-10(14)11(15)8-9/h4-5,8H,6-7H2,1-3H3 |
| InChIKey | LUMBFDDJHFBOSM-UHFFFAOYSA-N |
| Mol Weight | 286.35 g/mol |
| Molecular Formula | C13H16F2O3Si |
| Exact Mass | 286.083677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFdj2OdadA9 |
|---|---|
| Name | 4-(3,4-Difluorophenyl)-4-oxobutanoic acid, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.083677233 u |
| Formula | C13H16F2O3Si |
| InChI | InChI=1S/C13H16F2O3Si/c1-19(2,3)18-13(17)7-6-12(16)9-4-5-10(14)11(15)8-9/h4-5,8H,6-7H2,1-3H3 |
| InChIKey | LUMBFDDJHFBOSM-UHFFFAOYSA-N |
| Molecular Weight | 286.350 g/mol |
| SMILES | C(CCC(O[Si](C)(C)C)=O)(=O)C1=CC(F)=C(C=C1)F |