| SpectraBase Compound ID | 5QAv3jKvhDS |
|---|---|
| InChI | InChI=1S/C17H11Cl3O3/c1-10(21)23-17-14(8-13(19)9-15(17)20)16(22)7-4-11-2-5-12(18)6-3-11/h2-9H,1H3/b7-4+ |
| InChIKey | XZFGCYJDKSDOCD-QPJJXVBHSA-N |
| Mol Weight | 369.63 g/mol |
| Molecular Formula | C17H11Cl3O3 |
| Exact Mass | 367.977377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G27tDdYYY7e |
|---|---|
| Name | 2'(Acetyl)oxy-3',4,5'-trichlorochalcone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.977377311 u |
| Formula | C17H11Cl3O3 |
| InChI | InChI=1S/C17H11Cl3O3/c1-10(21)23-17-14(8-13(19)9-15(17)20)16(22)7-4-11-2-5-12(18)6-3-11/h2-9H,1H3/b7-4+ |
| InChIKey | XZFGCYJDKSDOCD-QPJJXVBHSA-N |
| Molecular Weight | 369.631 g/mol |
| SMILES | C1(=C(C(Cl)=CC(=C1)Cl)OC(C)=O)C(\C=C\C1=CC=C(C=C1)Cl)=O |