| SpectraBase Compound ID | 6hjz4iIU1bu |
|---|---|
| InChI | InChI=1S/C14H11ClO2/c1-10-4-2-3-5-13(10)14(16)17-12-8-6-11(15)7-9-12/h2-9H,1H3 |
| InChIKey | GINBDDAROBWNDR-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 | 7HfgTsF7Avt |
|---|---|
| Name | o-Toluic acid, 4-chlorophenyl 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/c1-10-4-2-3-5-13(10)14(16)17-12-8-6-11(15)7-9-12/h2-9H,1H3 |
| InChIKey | GINBDDAROBWNDR-UHFFFAOYSA-N |
| Molecular Weight | 246.693 g/mol |
| SMILES | C1=CC=CC(=C1C)C(OC1=CC=C(C=C1)Cl)=O |