| SpectraBase Compound ID | H35SGnHK5gf |
|---|---|
| InChI | InChI=1S/C16H19ClO3/c1-3-4-11-9-13(10-5-7-12(17)8-6-10)14(15(11)18)16(19)20-2/h5-8,11,13-14H,3-4,9H2,1-2H3 |
| InChIKey | BRKXOHFSLRTICP-UHFFFAOYSA-N |
| Mol Weight | 294.78 g/mol |
| Molecular Formula | C16H19ClO3 |
| Exact Mass | 294.102272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EUC8M7TTnOz |
|---|---|
| Name | Methyl 2-oxo-5-(4-chlorophenyl)-3-propylcyclopentanecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.102272169 u |
| Formula | C16H19ClO3 |
| InChI | InChI=1S/C16H19ClO3/c1-3-4-11-9-13(10-5-7-12(17)8-6-10)14(15(11)18)16(19)20-2/h5-8,11,13-14H,3-4,9H2,1-2H3 |
| InChIKey | BRKXOHFSLRTICP-UHFFFAOYSA-N |
| SMILES | C1(C(CC(C1=O)CCC)C1=CC=C(C=C1)Cl)C(=O)OC |