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7-[2-(4-methoxyphenyl)-2-oxoethoxy]-8-methyl-4-phenyl-2H-chromen-2-one
SpectraBase Compound ID HNRV1S4qVJ5
InChI InChI=1S/C25H20O5/c1-16-23(29-15-22(26)18-8-10-19(28-2)11-9-18)13-12-20-21(14-24(27)30-25(16)20)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3
InChIKey KSDLQHBETUYEGF-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C25H20O5
Exact Mass 400.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cn3Tapp7WYk
Name 7-[2-(4-Methoxyphenyl)-2-oxoethoxy]-8-methyl-4-phenyl-2H-chromen-2-one
Comments Computed using HOSE algorithm
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Exact Mass 400.131073739 u
Formula C25H20O5
InChI InChI=1S/C25H20O5/c1-16-23(29-15-22(26)18-8-10-19(28-2)11-9-18)13-12-20-21(14-24(27)30-25(16)20)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3
InChIKey KSDLQHBETUYEGF-UHFFFAOYSA-N
Molecular Weight 400.430 g/mol
SMILES C1=2C(C(C=3C=CC=CC3)=CC(O1)=O)=CC=C(C2C)OCC(C=1C=CC(=CC1)OC)=O