| SpectraBase Compound ID | 9iX3uZMtG4D |
|---|---|
| InChI | InChI=1S/C14H10Cl2O2/c1-9-5-7-10(8-6-9)14(17)18-12-4-2-3-11(15)13(12)16/h2-8H,1H3 |
| InChIKey | NEJYNSUSEQAQIJ-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 | C9FQm3VqMqH |
|---|---|
| Name | 4-Methylbenzoic acid, 2,3-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/c1-9-5-7-10(8-6-9)14(17)18-12-4-2-3-11(15)13(12)16/h2-8H,1H3 |
| InChIKey | NEJYNSUSEQAQIJ-UHFFFAOYSA-N |
| Molecular Weight | 281.138 g/mol |
| SMILES | C(C1=CC=C(C=C1)C)(OC1=CC=CC(=C1Cl)Cl)=O |