| SpectraBase Compound ID | G2LLM3ME5EJ |
|---|---|
| InChI | InChI=1S/C8H7Cl3O/c1-7(8(9,10)11)4-2-6(12)3-5-7/h2-5H,1H3 |
| InChIKey | RCHALGLCCGJUAE-UHFFFAOYSA-N |
| Mol Weight | 225.5 g/mol |
| Molecular Formula | C8H7Cl3O |
| Exact Mass | 223.956248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjpDDBSujjU |
|---|---|
| Name | 4-METHYL-4-TRICHLORMETHYL-2,5-CYCLOHEXADIEN-1-ON |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H7Cl3O |
| InChI | InChI=1S/C8H7Cl3O/c1-7(8(9,10)11)4-2-6(12)3-5-7/h2-5H,1H3 |
| InChIKey | RCHALGLCCGJUAE-UHFFFAOYSA-N |
| Literature Reference Citation | LIEB.ANN.CHEM.,121(1978) |
| Molecular Weight | 225.502 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW11017 |