| SpectraBase Compound ID | CmeeVZ9ppWi |
|---|---|
| InChI | InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H |
| InChIKey | REHONNLQRWTIFF-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 | DyESw4cmOBq |
|---|---|
| Name | 3,3',4,4,',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/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H |
| InChIKey | REHONNLQRWTIFF-UHFFFAOYSA-N |
| Molecular Weight | 326.437 g/mol |
| SMILES | C1(=CC(=C(C(=C1)Cl)Cl)Cl)C1=CC(=C(C=C1)Cl)Cl |