| SpectraBase Compound ID | IJbaXTeJkF4 |
|---|---|
| InChI | InChI=1S/C15H9ClO2/c16-12-6-7-13-11(8-12)9-14(18-15(13)17)10-4-2-1-3-5-10/h1-9H |
| InChIKey | BNXVQZSLIQQDHI-UHFFFAOYSA-N |
| Mol Weight | 256.69 g/mol |
| Molecular Formula | C15H9ClO2 |
| Exact Mass | 256.029107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GRqBGdAeQzU |
|---|---|
| Name | 6-Chloro-3-phenyl-1H-isochromen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.029107228 u |
| Formula | C15H9ClO2 |
| InChI | InChI=1S/C15H9ClO2/c16-12-6-7-13-11(8-12)9-14(18-15(13)17)10-4-2-1-3-5-10/h1-9H |
| InChIKey | BNXVQZSLIQQDHI-UHFFFAOYSA-N |
| SMILES | C1=C(C=C2C=C(OC(=O)C2=C1)C1=CC=CC=C1)Cl |