| SpectraBase Compound ID | DKyCcYUOAP0 |
|---|---|
| InChI | InChI=1S/C14H10Cl2O2/c1-9-3-2-4-10(7-9)14(17)18-13-8-11(15)5-6-12(13)16/h2-8H,1H3 |
| InChIKey | FYRYJAWPUIRANM-UHFFFAOYSA-N |
| Mol Weight | 281.14 g/mol |
| Molecular Formula | C14H10Cl2O2 |
| Exact Mass | 280.005785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L2uIrqq0hPR |
|---|---|
| Name | 3-Methylbenzoic acid, 2,5-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.005784960 u |
| Formula | C14H10Cl2O2 |
| InChI | InChI=1S/C14H10Cl2O2/c1-9-3-2-4-10(7-9)14(17)18-13-8-11(15)5-6-12(13)16/h2-8H,1H3 |
| InChIKey | FYRYJAWPUIRANM-UHFFFAOYSA-N |
| Molecular Weight | 281.138 g/mol |
| SMILES | C(=O)(OC1=CC(=CC=C1Cl)Cl)C=1C=CC=C(C)C1 |