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Ethyl 3,8-dihydro-3-oxo-8,8-diphenylpyrano[3,2-f](1)-benzopyran-2-carboxylate

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Ethyl 3,8-dihydro-3-oxo-8,8-diphenylpyrano[3,2-f](1)-benzopyran-2-carboxylate
SpectraBase Compound ID I4yjsOR28Yl
InChI InChI=1S/C27H20O5/c1-2-30-25(28)22-17-21-20-15-16-27(18-9-5-3-6-10-18,19-11-7-4-8-12-19)32-24(20)14-13-23(21)31-26(22)29/h3-17H,2H2,1H3
InChIKey GABXSKVRZDARQK-UHFFFAOYSA-N
Mol Weight 424.45 g/mol
Molecular Formula C27H20O5
Exact Mass 424.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CLhbLutKLKb
Name Ethyl 3,8-dihydro-3-oxo-8,8-diphenylpyrano[3,2-F](1)-benzopyran-2-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 424.131073739 u
Formula C27H20O5
InChI InChI=1S/C27H20O5/c1-2-30-25(28)22-17-21-20-15-16-27(18-9-5-3-6-10-18,19-11-7-4-8-12-19)32-24(20)14-13-23(21)31-26(22)29/h3-17H,2H2,1H3
InChIKey GABXSKVRZDARQK-UHFFFAOYSA-N
Molecular Weight 424.452 g/mol
SMILES C=1(C(OC=2C(C1)=C1C=CC(OC1=CC2)(C=1C=CC=CC1)C=1C=CC=CC1)=O)C(=O)OCC