| SpectraBase Compound ID | RDzi2yKGmi |
|---|---|
| InChI | InChI=1S/C14H16Cl2O2/c1-2-3-4-9-18-14(17)8-6-11-5-7-12(15)10-13(11)16/h5-8,10H,2-4,9H2,1H3/b8-6+ |
| InChIKey | FMOQJXLYLLELBD-SOFGYWHQSA-N |
| Mol Weight | 287.19 g/mol |
| Molecular Formula | C14H16Cl2O2 |
| Exact Mass | 286.052735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DQwdzMioNG5 |
|---|---|
| Name | 2-Propenoic acid, 3-(2,4-dichlorophenyl)-, pentyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.052735153 u |
| Formula | C14H16Cl2O2 |
| InChI | InChI=1S/C14H16Cl2O2/c1-2-3-4-9-18-14(17)8-6-11-5-7-12(15)10-13(11)16/h5-8,10H,2-4,9H2,1H3/b8-6+ |
| InChIKey | FMOQJXLYLLELBD-SOFGYWHQSA-N |
| SMILES | C(\C=C\C=1C(=CC(=CC1)Cl)Cl)(=O)OCCCCC |