| SpectraBase Compound ID | 1NXUGUSqNJL |
|---|---|
| InChI | InChI=1S/C14H11ClO2/c15-10-14(16)17-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | DFLYOJAJGQASBY-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 | 8Kx5B72Pzyr |
|---|---|
| Name | Chloroacetic acid, 2-biphenyl ester |
| 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/c15-10-14(16)17-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | DFLYOJAJGQASBY-UHFFFAOYSA-N |
| Molecular Weight | 246.693 g/mol |
| SMILES | C1(=C(C=CC=C1)OC(CCl)=O)C1=CC=CC=C1 |