![5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one](/api/spectrum/B3xKRNBHxJw/structure.png?h=300&w=458 "5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one")
| SpectraBase Compound ID | c9rePuQXtS |
|---|---|
| InChI | InChI=1S/C13H14Cl2O/c1-13(2,3)12(16)7-5-9-4-6-10(14)11(15)8-9/h4-8H,1-3H3/b7-5+ |
| InChIKey | STNYEQSXKXKGCA-FNORWQNLSA-N |
| Mol Weight | 257.16 g/mol |
| Molecular Formula | C13H14Cl2O |
| Exact Mass | 256.04217 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3xKRNBHxJw |
|---|---|
| Name | 5-[3,4-Dichlorophenyl]-2,2-dimethyl-4-pentene-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.042170470 u |
| Formula | C13H14Cl2O |
| InChI | InChI=1S/C13H14Cl2O/c1-13(2,3)12(16)7-5-9-4-6-10(14)11(15)8-9/h4-8H,1-3H3/b7-5+ |
| InChIKey | STNYEQSXKXKGCA-FNORWQNLSA-N |
| Molecular Weight | 257.160 g/mol |
| SMILES | C1=C(C=CC(=C1Cl)Cl)\C=C\C(=O)C(C)(C)C |