| SpectraBase Compound ID | BKq4ozufR31 |
|---|---|
| InChI | InChI=1S/C16H14Cl2O2/c1-10(2)16(19)20-15-13(17)8-12(9-14(15)18)11-6-4-3-5-7-11/h3-10H,1-2H3 |
| InChIKey | XOPDJOFRASMOHU-UHFFFAOYSA-N |
| Mol Weight | 309.19 g/mol |
| Molecular Formula | C16H14Cl2O2 |
| Exact Mass | 308.037085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9cyiFvBX7q3 |
|---|---|
| Name | 4-Hydroxy-3,5-dichlorobiphenyl, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.037085089 u |
| Formula | C16H14Cl2O2 |
| InChI | InChI=1S/C16H14Cl2O2/c1-10(2)16(19)20-15-13(17)8-12(9-14(15)18)11-6-4-3-5-7-11/h3-10H,1-2H3 |
| InChIKey | XOPDJOFRASMOHU-UHFFFAOYSA-N |
| Molecular Weight | 309.192 g/mol |
| SMILES | C1(C2=CC=CC=C2)=CC(=C(C(=C1)Cl)OC(C(C)C)=O)Cl |