| SpectraBase Compound ID | CiEMlyLjGmR |
|---|---|
| InChI | InChI=1S/C15H10Cl4O2/c16-10-8-11(17)15(14(19)13(10)18)21-12(20)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2 |
| InChIKey | VQWOGTZZJINORW-UHFFFAOYSA-N |
| Mol Weight | 364.1 g/mol |
| Molecular Formula | C15H10Cl4O2 |
| Exact Mass | 361.94349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1GBWPuAhhi |
|---|---|
| Name | 3-Phenylpropionic acid, 2,3,4,6-tetrachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.943490360 u |
| Formula | C15H10Cl4O2 |
| InChI | InChI=1S/C15H10Cl4O2/c16-10-8-11(17)15(14(19)13(10)18)21-12(20)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2 |
| InChIKey | VQWOGTZZJINORW-UHFFFAOYSA-N |
| Molecular Weight | 364.055 g/mol |
| SMILES | C1(=CC=CC=C1)CCC(=O)OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl |