![Methyl 5-methyl-2-oxo-3-[2-(4-chlorophenyl)ethyl]cyclopentanecarboxylate](/api/spectrum/3bVNj1j0XEi/structure.png?h=300&w=458 "Methyl 5-methyl-2-oxo-3-[2-(4-chlorophenyl)ethyl]cyclopentanecarboxylate")
| SpectraBase Compound ID | 3JZVT5WnWay |
|---|---|
| InChI | InChI=1S/C16H19ClO3/c1-10-9-12(15(18)14(10)16(19)20-2)6-3-11-4-7-13(17)8-5-11/h4-5,7-8,10,12,14H,3,6,9H2,1-2H3 |
| InChIKey | YYFCFOGTKFPOPV-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 | 3bVNj1j0XEi |
|---|---|
| Name | Methyl 5-methyl-2-oxo-3-[2-(4-chlorophenyl)ethyl]cyclopentanecarboxylate |
| 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/c1-10-9-12(15(18)14(10)16(19)20-2)6-3-11-4-7-13(17)8-5-11/h4-5,7-8,10,12,14H,3,6,9H2,1-2H3 |
| InChIKey | YYFCFOGTKFPOPV-UHFFFAOYSA-N |
| SMILES | C1(C(C(CCC=2C=CC(=CC2)Cl)CC1C)=O)C(=O)OC |