| SpectraBase Compound ID | 6F2vNlKiwxw |
|---|---|
| InChI | InChI=1S/C16H13Cl3O2/c1-9(2)16(20)21-15-6-3-10(7-14(15)19)12-8-11(17)4-5-13(12)18/h3-9H,1-2H3 |
| InChIKey | WXVXHBSLVOTRRL-UHFFFAOYSA-N |
| Mol Weight | 343.64 g/mol |
| Molecular Formula | C16H13Cl3O2 |
| Exact Mass | 341.998113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dMObtn5t6E |
|---|---|
| Name | 4-Hydroxy-2',3,5'-trichlorobiphenyl, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.998112757 u |
| Formula | C16H13Cl3O2 |
| InChI | InChI=1S/C16H13Cl3O2/c1-9(2)16(20)21-15-6-3-10(7-14(15)19)12-8-11(17)4-5-13(12)18/h3-9H,1-2H3 |
| InChIKey | WXVXHBSLVOTRRL-UHFFFAOYSA-N |
| Molecular Weight | 343.637 g/mol |
| SMILES | C1(C2=C(C=CC(=C2)Cl)Cl)=CC(=C(C=C1)OC(C(C)C)=O)Cl |