| SpectraBase Compound ID | 3kdmsCRwLyA |
|---|---|
| InChI | InChI=1S/C17H15Cl3O2/c1-17(2,3)16(21)22-15-7-4-10(8-14(15)20)12-9-11(18)5-6-13(12)19/h4-9H,1-3H3 |
| InChIKey | LTSGQPONJWNVIT-UHFFFAOYSA-N |
| Mol Weight | 357.66 g/mol |
| Molecular Formula | C17H15Cl3O2 |
| Exact Mass | 356.013763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AzEPxxPX6eV |
|---|---|
| Name | 4-Hydroxy-2',3,5'-trichlorobiphenyl, trimethylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.013762821 u |
| Formula | C17H15Cl3O2 |
| InChI | InChI=1S/C17H15Cl3O2/c1-17(2,3)16(21)22-15-7-4-10(8-14(15)20)12-9-11(18)5-6-13(12)19/h4-9H,1-3H3 |
| InChIKey | LTSGQPONJWNVIT-UHFFFAOYSA-N |
| Molecular Weight | 357.664 g/mol |
| SMILES | C1(C2=C(C=CC(=C2)Cl)Cl)=CC(=C(C=C1)OC(C(C)(C)C)=O)Cl |