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3-Hydroxy-2',5'-dichlorobiphenyl, 2-methylpropionate
SpectraBase Compound ID BZvX5CZpVZj
InChI InChI=1S/C16H14Cl2O2/c1-10(2)16(19)20-13-5-3-4-11(8-13)14-9-12(17)6-7-15(14)18/h3-10H,1-2H3
InChIKey JOUXIJYOTNQUPC-UHFFFAOYSA-N
Mol Weight 309.19 g/mol
Molecular Formula C16H14Cl2O2
Exact Mass 308.037085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jwXsPsk22M
Name 3-Hydroxy-2',5'-dichlorobiphenyl, 2-methylpropionate
Comments Computed using HOSE algorithm
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Exact Mass 308.037085089 u
Formula C16H14Cl2O2
InChI InChI=1S/C16H14Cl2O2/c1-10(2)16(19)20-13-5-3-4-11(8-13)14-9-12(17)6-7-15(14)18/h3-10H,1-2H3
InChIKey JOUXIJYOTNQUPC-UHFFFAOYSA-N
Molecular Weight 309.192 g/mol
SMILES C1(C2=C(C=CC(=C2)Cl)Cl)=CC(=CC=C1)OC(C(C)C)=O