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3-(4-Chlorophenyl)-7-hydroxy-4H-chromen-4-one
SpectraBase Compound ID DQLLNlHL0Zj
InChI InChI=1S/C15H9ClO3/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,17H
InChIKey CAMGISMGOXUYFB-UHFFFAOYSA-N
Mol Weight 272.69 g/mol
Molecular Formula C15H9ClO3
Exact Mass 272.024022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7tvwufkEOfF
Name 3-(4-Chlorophenyl)-7-hydroxy-4H-chromen-4-one
Comments Computed using HOSE algorithm
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Exact Mass 272.024021847 u
Formula C15H9ClO3
InChI InChI=1S/C15H9ClO3/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,17H
InChIKey CAMGISMGOXUYFB-UHFFFAOYSA-N
SMILES C1(Cl)=CC=C(C=C1)C1=COC2=C(C1=O)C=CC(=C2)O