| SpectraBase Compound ID | 2e1NKvalBOC |
|---|---|
| InChI | InChI=1S/C7H11Cl3O2/c1-6(11)12-5-7(2-8,3-9)4-10/h2-5H2,1H3 |
| InChIKey | QNEVLHBCVBSUMX-UHFFFAOYSA-N |
| Mol Weight | 233.52 g/mol |
| Molecular Formula | C7H11Cl3O2 |
| Exact Mass | 231.982463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9sKnOFPwqx |
|---|---|
| Name | 2,2,2-Tris-(chloromethyl)-ethanol, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.982462692 u |
| Formula | C7H11Cl3O2 |
| InChI | InChI=1S/C7H11Cl3O2/c1-6(11)12-5-7(2-8,3-9)4-10/h2-5H2,1H3 |
| InChIKey | QNEVLHBCVBSUMX-UHFFFAOYSA-N |
| Molecular Weight | 233.522 g/mol |
| SMILES | C(Cl)C(CCl)(CCl)COC(C)=O |