| SpectraBase Compound ID | Isg39EwbZPW |
|---|---|
| InChI | InChI=1S/C10H8Cl2O2/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2-6H,1H3/b5-3+ |
| InChIKey | RVBQSTISRBKZTG-HWKANZROSA-N |
| Mol Weight | 231.08 g/mol |
| Molecular Formula | C10H8Cl2O2 |
| Exact Mass | 229.990135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBuBdCaSphw |
|---|---|
| Name | (E)-3-(2,4-Dichlorophenyl)-2-propenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.990134896 u |
| Formula | C10H8Cl2O2 |
| InChI | InChI=1S/C10H8Cl2O2/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2-6H,1H3/b5-3+ |
| InChIKey | RVBQSTISRBKZTG-HWKANZROSA-N |
| Molecular Weight | 231.078 g/mol |
| SMILES | C(\C=C\C=1C(=CC(=CC1)Cl)Cl)(=O)OC |