| SpectraBase Compound ID | K4yy5ANnQEN |
|---|---|
| InChI | InChI=1S/C16H12Cl4O2/c1-8(2)16(21)22-14-4-3-9(17)5-11(14)15-12(19)6-10(18)7-13(15)20/h3-8H,1-2H3 |
| InChIKey | QGRFJWSGXGCLDH-UHFFFAOYSA-N |
| Mol Weight | 378.1 g/mol |
| Molecular Formula | C16H12Cl4O2 |
| Exact Mass | 375.95914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HgO1fcf7BT1 |
|---|---|
| Name | 2-Hydroxy-2',4',5,6'-tetrachlorobiphenyl, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.959140424 u |
| Formula | C16H12Cl4O2 |
| InChI | InChI=1S/C16H12Cl4O2/c1-8(2)16(21)22-14-4-3-9(17)5-11(14)15-12(19)6-10(18)7-13(15)20/h3-8H,1-2H3 |
| InChIKey | QGRFJWSGXGCLDH-UHFFFAOYSA-N |
| Molecular Weight | 378.082 g/mol |
| SMILES | C1(C2=C(C=C(C=C2Cl)Cl)Cl)=C(C=CC(=C1)Cl)OC(C(C)C)=O |