| SpectraBase Compound ID | 69Qoyjtzhrp |
|---|---|
| InChI | InChI=1S/C11H11ClO2/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-7H,1-2H3/b8-7+ |
| InChIKey | NJJHRZVLBMFTIN-BQYQJAHWSA-N |
| Mol Weight | 210.66 g/mol |
| Molecular Formula | C11H11ClO2 |
| Exact Mass | 210.044757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L5yJvDbSyGP |
|---|---|
| Name | (E)-3-(4-Chlorophenyl)-2-methyl-2-propenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.044757292 u |
| Formula | C11H11ClO2 |
| InChI | InChI=1S/C11H11ClO2/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-7H,1-2H3/b8-7+ |
| InChIKey | NJJHRZVLBMFTIN-BQYQJAHWSA-N |
| Molecular Weight | 210.660 g/mol |
| SMILES | C(\C(=C\C=1C=CC(=CC1)Cl)C)(=O)OC |