| SpectraBase Compound ID | LSlCswRQy1s |
|---|---|
| InChI | InChI=1S/C13H14Cl2O2/c1-2-3-8-17-13(16)7-5-10-4-6-11(14)9-12(10)15/h4-7,9H,2-3,8H2,1H3/b7-5+ |
| InChIKey | DOLDPYGSJOEUTR-FNORWQNLSA-N |
| Mol Weight | 273.16 g/mol |
| Molecular Formula | C13H14Cl2O2 |
| Exact Mass | 272.037085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwYlMw5SEbH |
|---|---|
| Name | 2-Propenoic acid, 3-(2,4-dichlorophenyl)-, butyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.037085089 u |
| Formula | C13H14Cl2O2 |
| InChI | InChI=1S/C13H14Cl2O2/c1-2-3-8-17-13(16)7-5-10-4-6-11(14)9-12(10)15/h4-7,9H,2-3,8H2,1H3/b7-5+ |
| InChIKey | DOLDPYGSJOEUTR-FNORWQNLSA-N |
| SMILES | C(\C=C\C=1C(=CC(=CC1)Cl)Cl)(=O)OCCCC |