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3-Methyl-2-[2-(3,5-dihydroxyphenyl)ethenyl]-5,7,8-trimethoxychromone
SpectraBase Compound ID AwylA0Ll7h8
InChI InChI=1S/C21H20O7/c1-11-15(6-5-12-7-13(22)9-14(23)8-12)28-21-18(19(11)24)16(25-2)10-17(26-3)20(21)27-4/h5-10,22-23H,1-4H3/b6-5+
InChIKey WTVULQHOSIZGNY-AATRIKPKSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mgIDwXsWbS
Name 3-Methyl-2-[2-(3,5-dihydroxyphenyl)ethenyl]-5,7,8-trimethoxychromone
Comments Computed using HOSE algorithm
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Exact Mass 384.120902977 u
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-11-15(6-5-12-7-13(22)9-14(23)8-12)28-21-18(19(11)24)16(25-2)10-17(26-3)20(21)27-4/h5-10,22-23H,1-4H3/b6-5+
InChIKey WTVULQHOSIZGNY-AATRIKPKSA-N
Molecular Weight 384.384 g/mol
SMILES C12=C(OC(=C(C2=O)C)\C=C\C=2C=C(O)C=C(C2)O)C(OC)=C(C=C1OC)OC