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7-[2-(4-methoxyphenyl)-2-oxoethoxy]-6-methyl-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
SpectraBase Compound ID JzRbsY2s1e1
InChI InChI=1S/C22H20O5/c1-13-20(26-12-19(23)14-6-8-15(25-2)9-7-14)11-10-17-16-4-3-5-18(16)22(24)27-21(13)17/h6-11H,3-5,12H2,1-2H3
InChIKey BSOGEZIGDBLTMJ-UHFFFAOYSA-N
Mol Weight 364.4 g/mol
Molecular Formula C22H20O5
Exact Mass 364.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOybguAANYI
Name 7-[2-(4-Methoxyphenyl)-2-oxoethoxy]-6-methyl-2,3-dihydrocyclopenta[C]chromen-4(1H)-one
Comments Computed using HOSE algorithm
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Exact Mass 364.131073739 u
Formula C22H20O5
InChI InChI=1S/C22H20O5/c1-13-20(26-12-19(23)14-6-8-15(25-2)9-7-14)11-10-17-16-4-3-5-18(16)22(24)27-21(13)17/h6-11H,3-5,12H2,1-2H3
InChIKey BSOGEZIGDBLTMJ-UHFFFAOYSA-N
Molecular Weight 364.397 g/mol
SMILES C=12OC(=O)C3=C(C2=CC=C(C1C)OCC(C=1C=CC(=CC1)OC)=O)CCC3