| SpectraBase Compound ID | ARzSukQFgOQ |
|---|---|
| InChI | InChI=1S/C12H12Cl2O2/c1-2-7-16-12(15)6-4-9-3-5-10(13)11(14)8-9/h3-6,8H,2,7H2,1H3/b6-4+ |
| InChIKey | JKKNKZVXGZCWAK-GQCTYLIASA-N |
| Mol Weight | 259.13 g/mol |
| Molecular Formula | C12H12Cl2O2 |
| Exact Mass | 258.021435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ScX8WPH99z |
|---|---|
| Name | (E)-3-(3,4-Dichlorophenyl)-2-propenoic acid propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.021435024 u |
| Formula | C12H12Cl2O2 |
| InChI | InChI=1S/C12H12Cl2O2/c1-2-7-16-12(15)6-4-9-3-5-10(13)11(14)8-9/h3-6,8H,2,7H2,1H3/b6-4+ |
| InChIKey | JKKNKZVXGZCWAK-GQCTYLIASA-N |
| Molecular Weight | 259.132 g/mol |
| SMILES | C(\C=C\C=1C=C(Cl)C(=CC1)Cl)(=O)OCCC |