| SpectraBase Compound ID | 63yCnLr5kD8 |
|---|---|
| InChI | InChI=1S/C21H12Cl2O/c22-19-10-9-13(12-20(19)23)11-18-14-5-1-3-7-16(14)21(24)17-8-4-2-6-15(17)18/h1-12H |
| InChIKey | RLQCHEITEPTTMS-UHFFFAOYSA-N |
| Mol Weight | 351.23 g/mol |
| Molecular Formula | C21H12Cl2O |
| Exact Mass | 350.02652 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D36XsZFfSHG |
|---|---|
| Name | 10-(3,4-Dichlorobenzylidene)anthrone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.026520405 u |
| Formula | C21H12Cl2O |
| InChI | InChI=1S/C21H12Cl2O/c22-19-10-9-13(12-20(19)23)11-18-14-5-1-3-7-16(14)21(24)17-8-4-2-6-15(17)18/h1-12H |
| InChIKey | RLQCHEITEPTTMS-UHFFFAOYSA-N |
| Molecular Weight | 351.232 g/mol |
| SMILES | C=1C(=CC=C(C1Cl)Cl)C=C1C=2C=CC=CC2C(C=2C=CC=CC12)=O |