| SpectraBase Compound ID | 7N9m0mQFlZa |
|---|---|
| InChI | InChI=1S/C12H15ClO3/c1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9/h6,8H,2-5,7H2,1H3/b10-8- |
| InChIKey | RZDVVQSWDHATMR-NTMALXAHSA-N |
| Mol Weight | 242.7 g/mol |
| Molecular Formula | C12H15ClO3 |
| Exact Mass | 242.070972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1kQ4AhfC2qI |
|---|---|
| Name | (Z)-4-Chloro-4-(1-cyclohexenyl)-2-oxo-3-butenoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.070972040 u |
| Formula | C12H15ClO3 |
| InChI | InChI=1S/C12H15ClO3/c1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9/h6,8H,2-5,7H2,1H3/b10-8- |
| InChIKey | RZDVVQSWDHATMR-NTMALXAHSA-N |
| Molecular Weight | 242.702 g/mol |
| SMILES | C(C(\C=C\(C1=CCCCC1)Cl)=O)(=O)OCC |