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4H-1-Benzopyran-4-one, 2,3-dihydro-2,5,7-trihydroxy-2-(4-methoxyphenyl)-
SpectraBase Compound ID D79sDNF85Sf
InChI InChI=1S/C16H14O6/c1-21-11-4-2-9(3-5-11)16(20)8-13(19)15-12(18)6-10(17)7-14(15)22-16/h2-7,17-18,20H,8H2,1H3
InChIKey BRLKYZCTXMXYQH-UHFFFAOYSA-N
Mol Weight 302.28 g/mol
Molecular Formula C16H14O6
Exact Mass 302.079038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID QnwrgAGnMl
Name 4H-1-Benzopyran-4-one, 2,3-dihydro-2,5,7-trihydroxy-2-(4-methoxyphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 302.079038165 u
Formula C16H14O6
InChI InChI=1S/C16H14O6/c1-21-11-4-2-9(3-5-11)16(20)8-13(19)15-12(18)6-10(17)7-14(15)22-16/h2-7,17-18,20H,8H2,1H3
InChIKey BRLKYZCTXMXYQH-UHFFFAOYSA-N
Molecular Weight 302.282 g/mol
SMILES C1(OC=2C=C(O)C=C(C2C(C1)=O)O)(C1=CC=C(C=C1)OC)O