| SpectraBase Compound ID | 1vUw9gBaceN |
|---|---|
| InChI | InChI=1S/C15H11ClO4/c16-12-3-1-2-11(8-12)15(19)10-4-6-13(7-5-10)20-9-14(17)18/h1-8H,9H2,(H,17,18) |
| InChIKey | FJALVBMMKQNQFB-UHFFFAOYSA-N |
| Mol Weight | 290.7 g/mol |
| Molecular Formula | C15H11ClO4 |
| Exact Mass | 290.034587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7M58zKb0PBQ |
|---|---|
| Name | 4-(3'-Chlorobenzoyl)benzene-1-acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.034586530 u |
| Formula | C15H11ClO4 |
| InChI | InChI=1S/C15H11ClO4/c16-12-3-1-2-11(8-12)15(19)10-4-6-13(7-5-10)20-9-14(17)18/h1-8H,9H2,(H,17,18) |
| InChIKey | FJALVBMMKQNQFB-UHFFFAOYSA-N |
| SMILES | C(C1=CC(Cl)=CC=C1)(C1=CC=C(OCC(=O)O)C=C1)=O |