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7-{[(2E)-3-phenyl-2-propenyl]oxy}-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
SpectraBase Compound ID DgApK0YuqHu
InChI InChI=1S/C21H18O3/c22-21-19-10-4-9-17(19)18-12-11-16(14-20(18)24-21)23-13-5-8-15-6-2-1-3-7-15/h1-3,5-8,11-12,14H,4,9-10,13H2/b8-5+
InChIKey KQRSTBFSEDYLCV-VMPITWQZSA-N
Mol Weight 318.37 g/mol
Molecular Formula C21H18O3
Exact Mass 318.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 566mpVcKnx4
Name 7-{[(2E)-3-phenyl-2-propenyl]oxy}-2,3-dihydrocyclopenta[C]chromen-4(1H)-one
Comments Computed using HOSE algorithm
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Exact Mass 318.125594437 u
Formula C21H18O3
InChI InChI=1S/C21H18O3/c22-21-19-10-4-9-17(19)18-12-11-16(14-20(18)24-21)23-13-5-8-15-6-2-1-3-7-15/h1-3,5-8,11-12,14H,4,9-10,13H2/b8-5+
InChIKey KQRSTBFSEDYLCV-VMPITWQZSA-N
Molecular Weight 318.372 g/mol
SMILES C1(C2=C(CCC2)C=2C(O1)=CC(=CC2)OC\C=C\C=1C=CC=CC1)=O