| SpectraBase Compound ID | LLXgwwfncUw |
|---|---|
| InChI | InChI=1S/C16H15ClO2/c1-11-7-9-13(10-8-11)15(18)16(19)14(17)12-5-3-2-4-6-12/h2-10,14,16,19H,1H3 |
| InChIKey | BKGSOEJCJMUZIG-UHFFFAOYSA-N |
| Mol Weight | 274.75 g/mol |
| Molecular Formula | C16H15ClO2 |
| Exact Mass | 274.076057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78KmWEon6eN |
|---|---|
| Name | 3-Chloro-2-hydroxy-1-(4-methylphenyl)-3-phenylpropanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.076057421 u |
| Formula | C16H15ClO2 |
| InChI | InChI=1S/C16H15ClO2/c1-11-7-9-13(10-8-11)15(18)16(19)14(17)12-5-3-2-4-6-12/h2-10,14,16,19H,1H3 |
| InChIKey | BKGSOEJCJMUZIG-UHFFFAOYSA-N |
| Molecular Weight | 274.747 g/mol |
| SMILES | C(C(C(C=1C=CC=CC1)Cl)O)(C=1C=CC(=CC1)C)=O |