| SpectraBase Compound ID | 3dJnn9wu4m7 |
|---|---|
| InChI | InChI=1S/C16H13Cl3O2/c1-9(2)16(20)21-14-6-4-3-5-11(14)15-12(18)7-10(17)8-13(15)19/h3-9H,1-2H3 |
| InChIKey | PSUIPUQOAAQMJS-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 | LSWwQPqCEpt |
|---|---|
| Name | 2-Hydroxy-2',4',6'-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)21-14-6-4-3-5-11(14)15-12(18)7-10(17)8-13(15)19/h3-9H,1-2H3 |
| InChIKey | PSUIPUQOAAQMJS-UHFFFAOYSA-N |
| Molecular Weight | 343.637 g/mol |
| SMILES | C1(C2=C(C=C(C=C2Cl)Cl)Cl)=C(C=CC=C1)OC(C(C)C)=O |