| SpectraBase Compound ID | 2ubc6oKb6iz |
|---|---|
| InChI | InChI=1S/C12H5Cl5/c13-7-3-6(4-8(14)5-7)9-1-2-10(15)12(17)11(9)16/h1-5H |
| InChIKey | MPCDNZSLJWJDNW-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 | 5pdEfXMlscD |
|---|---|
| Name | 2,3,3',4,5'-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/c13-7-3-6(4-8(14)5-7)9-1-2-10(15)12(17)11(9)16/h1-5H |
| InChIKey | MPCDNZSLJWJDNW-UHFFFAOYSA-N |
| Molecular Weight | 326.437 g/mol |
| SMILES | C1(=CC(=CC(=C1)Cl)Cl)C1=CC=C(C(=C1Cl)Cl)Cl |