![2-[(3-Chloro-4-biphenylyl)oxy]ethanol, benzoate](/api/spectrum/FMQieSD3Hrd/structure.png?h=300&w=458 "2-[(3-Chloro-4-biphenylyl)oxy]ethanol, benzoate")
| SpectraBase Compound ID | 4fDp0MJKcCn |
|---|---|
| InChI | InChI=1S/C21H17ClO3/c22-19-15-18(16-7-3-1-4-8-16)11-12-20(19)24-13-14-25-21(23)17-9-5-2-6-10-17/h1-12,15H,13-14H2 |
| InChIKey | OINKZDFAJGKNQK-UHFFFAOYSA-N |
| Mol Weight | 352.82 g/mol |
| Molecular Formula | C21H17ClO3 |
| Exact Mass | 352.086622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FMQieSD3Hrd |
|---|---|
| Name | 2-[(3-Chloro-4-biphenylyl)oxy]ethanol, benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.086622104 u |
| Formula | C21H17ClO3 |
| InChI | InChI=1S/C21H17ClO3/c22-19-15-18(16-7-3-1-4-8-16)11-12-20(19)24-13-14-25-21(23)17-9-5-2-6-10-17/h1-12,15H,13-14H2 |
| InChIKey | OINKZDFAJGKNQK-UHFFFAOYSA-N |
| Molecular Weight | 352.817 g/mol |
| SMILES | C=1C(=CC=CC1)C(OCCOC=1C(=CC(=CC1)C=1C=CC=CC1)Cl)=O |