| SpectraBase Compound ID | qDrnA1YZzE |
|---|---|
| InChI | InChI=1S/C12H5Cl5/c13-6-1-2-7(10(15)5-6)8-3-4-9(14)12(17)11(8)16/h1-5H |
| InChIKey | LACXVZHAJMVESG-UHFFFAOYSA-N |
| Mol Weight | 326.4 g/mol |
| Molecular Formula | C12H5Cl5 |
| Exact Mass | 323.883389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KclQvuMFat6 |
|---|---|
| Name | 2,2',3,4,4'-Pentachloro-1,1'-biphenyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.883388661 u |
| Formula | C12H5Cl5 |
| InChI | InChI=1S/C12H5Cl5/c13-6-1-2-7(10(15)5-6)8-3-4-9(14)12(17)11(8)16/h1-5H |
| InChIKey | LACXVZHAJMVESG-UHFFFAOYSA-N |
| Molecular Weight | 326.437 g/mol |
| SMILES | C1(=C(C=C(C=C1)Cl)Cl)C1=CC=C(C(=C1Cl)Cl)Cl |