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3-Hydroxy-2',5'-dichlorobiphenyl, trifluoroacetate
SpectraBase Compound ID DlYyl0Vaz2y
InChI InChI=1S/C14H7Cl2F3O2/c15-9-4-5-12(16)11(7-9)8-2-1-3-10(6-8)21-13(20)14(17,18)19/h1-7H
InChIKey VRNDERPAWJHIIK-UHFFFAOYSA-N
Mol Weight 335.11 g/mol
Molecular Formula C14H7Cl2F3O2
Exact Mass 333.977519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 221lvDDyuSi
Name 3-Hydroxy-2',5'-dichlorobiphenyl, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 333.977519352 u
Formula C14H7Cl2F3O2
InChI InChI=1S/C14H7Cl2F3O2/c15-9-4-5-12(16)11(7-9)8-2-1-3-10(6-8)21-13(20)14(17,18)19/h1-7H
InChIKey VRNDERPAWJHIIK-UHFFFAOYSA-N
Molecular Weight 335.109 g/mol
SMILES C1(C2=C(C=CC(=C2)Cl)Cl)=CC(=CC=C1)OC(C(F)(F)F)=O