| SpectraBase Compound ID | 5RehgrfVsaM |
|---|---|
| InChI | InChI=1S/C13H7Cl5O/c1-19-10-3-2-6(14)4-7(10)8-5-9(15)12(17)13(18)11(8)16/h2-5H,1H3 |
| InChIKey | AIIMKRXGRGCPJZ-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C13H7Cl5O |
| Exact Mass | 353.893953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 45I25RtYb8x |
|---|---|
| Name | 2-Hydroxy-2',3',4',5,5'-pentachlorobiphenyl, methyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.893953344 u |
| Formula | C13H7Cl5O |
| InChI | InChI=1S/C13H7Cl5O/c1-19-10-3-2-6(14)4-7(10)8-5-9(15)12(17)13(18)11(8)16/h2-5H,1H3 |
| InChIKey | AIIMKRXGRGCPJZ-UHFFFAOYSA-N |
| Molecular Weight | 356.463 g/mol |
| SMILES | C1(C2=C(C(=C(C(=C2)Cl)Cl)Cl)Cl)=C(C=CC(=C1)Cl)OC |