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o-Toluic acid, 3,4-dichlorophenyl ester
SpectraBase Compound ID 80qz1IO66HP
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ObRskpL5yl
Name o-Toluic acid, 3,4-dichlorophenyl ester
Comments Computed using HOSE algorithm
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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