| SpectraBase Compound ID | CQfDNmS83cB |
|---|---|
| InChI | InChI=1S/C15H11ClO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-8,14H,9H2 |
| InChIKey | CDOIUZWOHNJFJS-UHFFFAOYSA-N |
| Mol Weight | 258.7 g/mol |
| Molecular Formula | C15H11ClO2 |
| Exact Mass | 258.044757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8GDofPTWNmJ |
|---|---|
| Name | 3-(4-Chlorophenyl)-3,4-dihydro-1H-2-benzopyran-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.044757292 u |
| Formula | C15H11ClO2 |
| InChI | InChI=1S/C15H11ClO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-8,14H,9H2 |
| InChIKey | CDOIUZWOHNJFJS-UHFFFAOYSA-N |
| Molecular Weight | 258.704 g/mol |
| SMILES | C1(=O)OC(CC=2C=CC=CC12)C=1C=CC(=CC1)Cl |