| SpectraBase Compound ID | 15Q2WSbzxQE |
|---|---|
| InChI | InChI=1S/C15H9Cl5O2/c16-10-11(17)13(19)15(14(20)12(10)18)22-9(21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | GQHYXHFLDGSZDI-UHFFFAOYSA-N |
| Mol Weight | 398.5 g/mol |
| Molecular Formula | C15H9Cl5O2 |
| Exact Mass | 395.904518 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66VfOhtKPPq |
|---|---|
| Name | Pentachlorophenyl-.beta.-phenylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.904518028 u |
| Formula | C15H9Cl5O2 |
| InChI | InChI=1S/C15H9Cl5O2/c16-10-11(17)13(19)15(14(20)12(10)18)22-9(21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | GQHYXHFLDGSZDI-UHFFFAOYSA-N |
| Molecular Weight | 398.500 g/mol |
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC(CCC1=CC=CC=C1)=O)Cl |