| SpectraBase Compound ID | 6FNiJgwaNF9 |
|---|---|
| InChI | InChI=1S/C12H13ClO3/c1-8(12(15)16-2)7-11(14)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | LYIMOFCGNVDHEY-UHFFFAOYSA-N |
| Mol Weight | 240.69 g/mol |
| Molecular Formula | C12H13ClO3 |
| Exact Mass | 240.055322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1j8AphwRQXl |
|---|---|
| Name | 4-(4-Chlorophenyl)-2-methyl-4-oxobutanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.055321976 u |
| Formula | C12H13ClO3 |
| InChI | InChI=1S/C12H13ClO3/c1-8(12(15)16-2)7-11(14)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | LYIMOFCGNVDHEY-UHFFFAOYSA-N |
| Molecular Weight | 240.686 g/mol |
| SMILES | C(CC(C(=O)OC)C)(C=1C=CC(=CC1)Cl)=O |