![3-Chloro-[1,1'-biphenyl]-2-yl acetate](/api/spectrum/KCj1hlrZSOQ/structure.png?h=300&w=458 "3-Chloro-[1,1'-biphenyl]-2-yl acetate")
| SpectraBase Compound ID | BRCdwRS8TNx |
|---|---|
| InChI | InChI=1S/C14H11ClO2/c1-10(16)17-14-12(8-5-9-13(14)15)11-6-3-2-4-7-11/h2-9H,1H3 |
| InChIKey | JTQYAXKDMGQEQE-UHFFFAOYSA-N |
| Mol Weight | 246.69 g/mol |
| Molecular Formula | C14H11ClO2 |
| Exact Mass | 246.044757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KCj1hlrZSOQ |
|---|---|
| Name | 3-Chloro-[1,1'-biphenyl]-2-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.044757292 u |
| Formula | C14H11ClO2 |
| InChI | InChI=1S/C14H11ClO2/c1-10(16)17-14-12(8-5-9-13(14)15)11-6-3-2-4-7-11/h2-9H,1H3 |
| InChIKey | JTQYAXKDMGQEQE-UHFFFAOYSA-N |
| Molecular Weight | 246.693 g/mol |
| SMILES | C(C)(=O)OC1=C(C=CC=C1Cl)C1=CC=CC=C1 |