| SpectraBase Compound ID | e1J05Ct8Oh |
|---|---|
| InChI | InChI=1S/C15H11Cl3O2/c16-11-8-12(17)15(13(18)9-11)20-14(19)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2 |
| InChIKey | DUGCMOPFUXWPDD-UHFFFAOYSA-N |
| Mol Weight | 329.61 g/mol |
| Molecular Formula | C15H11Cl3O2 |
| Exact Mass | 327.982463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8oqiGzD2H6x |
|---|---|
| Name | 3-Phenylpropionic acid, 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.982462692 u |
| Formula | C15H11Cl3O2 |
| InChI | InChI=1S/C15H11Cl3O2/c16-11-8-12(17)15(13(18)9-11)20-14(19)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2 |
| InChIKey | DUGCMOPFUXWPDD-UHFFFAOYSA-N |
| Molecular Weight | 329.610 g/mol |
| SMILES | C1=CC=CC=C1CCC(=O)OC1=C(C=C(C=C1Cl)Cl)Cl |