| SpectraBase Compound ID | KLEAbrrYafF |
|---|---|
| InChI | InChI=1S/C15H10ClFO2/c16-11-4-8-15(19)13(9-11)14(18)7-3-10-1-5-12(17)6-2-10/h1-9,19H/b7-3+ |
| InChIKey | LVBAJUXKSAGDDR-XVNBXDOJSA-N |
| Mol Weight | 276.69 g/mol |
| Molecular Formula | C15H10ClFO2 |
| Exact Mass | 276.035335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5OfC8wT446 |
|---|---|
| Name | 2-Propen-1-one, 1-(5-chloro-2-hydroxyphenyl)-3-(4-fluorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.035335423 u |
| Formula | C15H10ClFO2 |
| InChI | InChI=1S/C15H10ClFO2/c16-11-4-8-15(19)13(9-11)14(18)7-3-10-1-5-12(17)6-2-10/h1-9,19H/b7-3+ |
| InChIKey | LVBAJUXKSAGDDR-XVNBXDOJSA-N |
| Molecular Weight | 276.694 g/mol |
| SMILES | OC1=CC=C(C=C1C(\C=C\C1=CC=C(C=C1)F)=O)Cl |