| SpectraBase Compound ID | NIDhB0HbWm |
|---|---|
| InChI | InChI=1S/C16H15ClO/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(17)10-5-13/h2-5,7-10H,6,11H2,1H3 |
| InChIKey | VSBSJTZFWZHQNG-UHFFFAOYSA-N |
| Mol Weight | 258.75 g/mol |
| Molecular Formula | C16H15ClO |
| Exact Mass | 258.081143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xhRhCQzNYe |
|---|---|
| Name | 3-(4-Chlorophenyl)-1-(4-methylphenyl)-1-propanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.081142802 u |
| Formula | C16H15ClO |
| InChI | InChI=1S/C16H15ClO/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(17)10-5-13/h2-5,7-10H,6,11H2,1H3 |
| InChIKey | VSBSJTZFWZHQNG-UHFFFAOYSA-N |
| Molecular Weight | 258.748 g/mol |
| SMILES | C(CCC=1C=CC(=CC1)Cl)(=O)C=1C=CC(=CC1)C |