| SpectraBase Compound ID | 8iqxasXdSh |
|---|---|
| InChI | InChI=1S/C15H12Cl2O2/c16-13-8-7-12(10-14(13)17)19-15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2 |
| InChIKey | FQOCOCXQBBVPNZ-UHFFFAOYSA-N |
| Mol Weight | 295.17 g/mol |
| Molecular Formula | C15H12Cl2O2 |
| Exact Mass | 294.021435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GV8AuIzKCuJ |
|---|---|
| Name | 3-Phenylpropionic acid, 3,4-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.021435024 u |
| Formula | C15H12Cl2O2 |
| InChI | InChI=1S/C15H12Cl2O2/c16-13-8-7-12(10-14(13)17)19-15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2 |
| InChIKey | FQOCOCXQBBVPNZ-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)CCC(OC=1C=CC(=C(C1)Cl)Cl)=O |