| SpectraBase Compound ID | 7u0mRIx12X3 |
|---|---|
| InChI | InChI=1S/C12H15Cl3O/c1-12(2,3)7-16-6-9-10(14)4-8(13)5-11(9)15/h4-5H,6-7H2,1-3H3 |
| InChIKey | HKYOHTPYOYXZDV-UHFFFAOYSA-N |
| Mol Weight | 281.61 g/mol |
| Molecular Formula | C12H15Cl3O |
| Exact Mass | 280.018848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7gGCR3ogmxF |
|---|---|
| Name | 2,4,6-Trichlorobenzyl alcohol, neopentyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.018848202 u |
| Formula | C12H15Cl3O |
| InChI | InChI=1S/C12H15Cl3O/c1-12(2,3)7-16-6-9-10(14)4-8(13)5-11(9)15/h4-5H,6-7H2,1-3H3 |
| InChIKey | HKYOHTPYOYXZDV-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C=C1Cl)Cl)Cl)COCC(C)(C)C |