| SpectraBase Compound ID | GvkMxQfa2ND |
|---|---|
| InChI | InChI=1S/C9H7Cl3O2/c1-5(13)14-4-7-8(11)2-6(10)3-9(7)12/h2-3H,4H2,1H3 |
| InChIKey | ZKMQDOTWHKLNON-UHFFFAOYSA-N |
| Mol Weight | 253.51 g/mol |
| Molecular Formula | C9H7Cl3O2 |
| Exact Mass | 251.951163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | MQicUZIY5G |
|---|---|
| Name | 2,4,6-Trichlorobenzyl alcohol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.951162563 u |
| Formula | C9H7Cl3O2 |
| InChI | InChI=1S/C9H7Cl3O2/c1-5(13)14-4-7-8(11)2-6(10)3-9(7)12/h2-3H,4H2,1H3 |
| InChIKey | ZKMQDOTWHKLNON-UHFFFAOYSA-N |
| Molecular Weight | 253.512 g/mol |
| SMILES | C1(=C(C=C(C=C1Cl)Cl)Cl)COC(C)=O |