| SpectraBase Compound ID | 69XGadGpKoa |
|---|---|
| InChI | InChI=1S/C16H11ClO2/c1-10-5-6-15-13(7-10)14(18)9-16(19-15)11-3-2-4-12(17)8-11/h2-9H,1H3 |
| InChIKey | DTEQXZYFUZPKPY-UHFFFAOYSA-N |
| Mol Weight | 270.71 g/mol |
| Molecular Formula | C16H11ClO2 |
| Exact Mass | 270.044757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPMjdVG4628 |
|---|---|
| Name | 4H-1-Benzopyran-4-one, 2-(3-chlorophenyl)-6-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.044757292 u |
| Formula | C16H11ClO2 |
| InChI | InChI=1S/C16H11ClO2/c1-10-5-6-15-13(7-10)14(18)9-16(19-15)11-3-2-4-12(17)8-11/h2-9H,1H3 |
| InChIKey | DTEQXZYFUZPKPY-UHFFFAOYSA-N |
| SMILES | C12=C(C=CC(=C2)C)OC(=CC1=O)C=1C=CC=C(Cl)C1 |