| SpectraBase Compound ID | 9tuqrgpjVKs |
|---|---|
| InChI | InChI=1S/C13H14Cl2O3/c1-8(2)13(18-11(16)7-14)12(17)9-3-5-10(15)6-4-9/h3-6,8,13H,7H2,1-2H3 |
| InChIKey | WICWPQDXHYZHFF-UHFFFAOYSA-N |
| Mol Weight | 289.16 g/mol |
| Molecular Formula | C13H14Cl2O3 |
| Exact Mass | 288.032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HfgMvASWicU |
|---|---|
| Name | 2-(.alpha.-Chloroacetoxy)-1-(4-chloroylphenyl)-3-methyl-1-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.031999708 u |
| Formula | C13H14Cl2O3 |
| InChI | InChI=1S/C13H14Cl2O3/c1-8(2)13(18-11(16)7-14)12(17)9-3-5-10(15)6-4-9/h3-6,8,13H,7H2,1-2H3 |
| InChIKey | WICWPQDXHYZHFF-UHFFFAOYSA-N |
| SMILES | C(C(OC(=O)CCl)C(C)C)(C=1C=CC(=CC1)Cl)=O |