| SpectraBase Compound ID | 3nnxYLG85Zf |
|---|---|
| InChI | InChI=1S/C16H12Cl2O/c1-11-2-6-13(7-3-11)16(19)9-5-12-4-8-14(17)15(18)10-12/h2-10H,1H3 |
| InChIKey | UPSMETLAEOAZHC-UHFFFAOYSA-N |
| Mol Weight | 291.18 g/mol |
| Molecular Formula | C16H12Cl2O |
| Exact Mass | 290.02652 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lp2ULP1aNAe |
|---|---|
| Name | 3,4-Dichloro-4'-methylchalcone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.026520405 u |
| Formula | C16H12Cl2O |
| InChI | InChI=1S/C16H12Cl2O/c1-11-2-6-13(7-3-11)16(19)9-5-12-4-8-14(17)15(18)10-12/h2-10H,1H3 |
| InChIKey | UPSMETLAEOAZHC-UHFFFAOYSA-N |
| SMILES | C=1C(=CC=C(C1)C)C(C=CC=1C=CC(=C(C1)Cl)Cl)=O |