| SpectraBase Compound ID | GT0DgZ63LKR |
|---|---|
| InChI | InChI=1S/C10H11Cl3O/c1-6(2)5-14-10-8(12)3-7(11)4-9(10)13/h3-4,6H,5H2,1-2H3 |
| InChIKey | KPIYNTWJEIHJCW-UHFFFAOYSA-N |
| Mol Weight | 253.56 g/mol |
| Molecular Formula | C10H11Cl3O |
| Exact Mass | 251.987548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JxBcKlenECv |
|---|---|
| Name | 2,4,6-Trichlorophenol, 2-methylpropyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.987548073 u |
| Formula | C10H11Cl3O |
| InChI | InChI=1S/C10H11Cl3O/c1-6(2)5-14-10-8(12)3-7(11)4-9(10)13/h3-4,6H,5H2,1-2H3 |
| InChIKey | KPIYNTWJEIHJCW-UHFFFAOYSA-N |
| Molecular Weight | 253.556 g/mol |
| SMILES | C1(=CC(=CC(=C1OCC(C)C)Cl)Cl)Cl |