| SpectraBase Compound ID | Kna0Y6jlQex |
|---|---|
| InChI | InChI=1S/C14H11ClO2/c1-10-3-2-4-13(9-10)17-14(16)11-5-7-12(15)8-6-11/h2-9H,1H3 |
| InChIKey | GAUJZVXSFTUKEY-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 | 3o9ZFwyHVGd |
|---|---|
| Name | 4-Chlorobenzoic acid, 3-methylphenyl 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/c1-10-3-2-4-13(9-10)17-14(16)11-5-7-12(15)8-6-11/h2-9H,1H3 |
| InChIKey | GAUJZVXSFTUKEY-UHFFFAOYSA-N |
| Molecular Weight | 246.693 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC1=CC(C)=CC=C1)=O)Cl |