| SpectraBase Compound ID | 4EjlWi6pKew |
|---|---|
| InChI | InChI=1S/C14H17ClF2O2/c1-8(2)10-6-5-7-11(9(3)4)12(10)19-13(18)14(15,16)17/h5-9H,1-4H3 |
| InChIKey | WUFSTNVUXUMWAZ-UHFFFAOYSA-N |
| Mol Weight | 290.74 g/mol |
| Molecular Formula | C14H17ClF2O2 |
| Exact Mass | 290.088514 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | fRaQ9cHLYU |
|---|---|
| Name | Propofol, chlorodifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.088513811 u |
| Formula | C14H17ClF2O2 |
| InChI | InChI=1S/C14H17ClF2O2/c1-8(2)10-6-5-7-11(9(3)4)12(10)19-13(18)14(15,16)17/h5-9H,1-4H3 |
| InChIKey | WUFSTNVUXUMWAZ-UHFFFAOYSA-N |
| Molecular Weight | 290.738 g/mol |
| SMILES | CC(C)C1=CC=CC(=C1OC(C(F)(F)Cl)=O)C(C)C |