SpectraBase Compound ID | 80qz1IO66HP |
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InChI | InChI=1S/C14H10Cl2O2/c1-9-4-2-3-5-11(9)14(17)18-10-6-7-12(15)13(16)8-10/h2-8H,1H3 |
InChIKey | KJYZJTRREBNGNX-UHFFFAOYSA-N |
Mol Weight | 281.14 g/mol |
Molecular Formula | C14H10Cl2O2 |
Exact Mass | 280.005785 g/mol |
SpectraBase Spectrum ID | ObRskpL5yl |
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Name | o-Toluic acid, 3,4-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/c1-9-4-2-3-5-11(9)14(17)18-10-6-7-12(15)13(16)8-10/h2-8H,1H3 |
InChIKey | KJYZJTRREBNGNX-UHFFFAOYSA-N |
Molecular Weight | 281.138 g/mol |
SMILES | C1=CC=CC(=C1C)C(OC1=CC(=C(C=C1)Cl)Cl)=O |