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2-Hydroxy-2',4',6'-trichlorobiphenyl, acetate
SpectraBase Compound ID LfocMXVgTM1
InChI InChI=1S/C14H9Cl3O2/c1-8(18)19-13-5-3-2-4-10(13)14-11(16)6-9(15)7-12(14)17/h2-7H,1H3
InChIKey CGTNQULDJBAZDV-UHFFFAOYSA-N
Mol Weight 315.58 g/mol
Molecular Formula C14H9Cl3O2
Exact Mass 313.966813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lcoxAGsMkw
Name 2-Hydroxy-2',4',6'-trichlorobiphenyl, acetate
Comments Computed using HOSE algorithm
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Exact Mass 313.966812628 u
Formula C14H9Cl3O2
InChI InChI=1S/C14H9Cl3O2/c1-8(18)19-13-5-3-2-4-10(13)14-11(16)6-9(15)7-12(14)17/h2-7H,1H3
InChIKey CGTNQULDJBAZDV-UHFFFAOYSA-N
Molecular Weight 315.583 g/mol
SMILES C1(C2=C(C=C(C=C2Cl)Cl)Cl)=C(C=CC=C1)OC(C)=O