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7-(Diethylamino)-3-(2-ketochromene-3-carbonyl)coumarin
SpectraBase Compound ID IdYjgH3CswF
InChI InChI=1S/C23H19NO5/c1-3-24(4-2)16-10-9-15-12-18(23(27)29-20(15)13-16)21(25)17-11-14-7-5-6-8-19(14)28-22(17)26/h5-13H,3-4H2,1-2H3
InChIKey JCTAPDOHBVAOHK-UHFFFAOYSA-N
Mol Weight 389.41 g/mol
Molecular Formula C23H19NO5
Exact Mass 389.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jhm7x6NjEGO
Name 7-(Diethylamino)-3-(2-ketochromene-3-carbonyl)coumarin
Comments Computed using HOSE algorithm
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Exact Mass 389.126322711 u
Formula C23H19NO5
InChI InChI=1S/C23H19NO5/c1-3-24(4-2)16-10-9-15-12-18(23(27)29-20(15)13-16)21(25)17-11-14-7-5-6-8-19(14)28-22(17)26/h5-13H,3-4H2,1-2H3
InChIKey JCTAPDOHBVAOHK-UHFFFAOYSA-N
Molecular Weight 389.407 g/mol
SMILES C=1(C(C=2C(OC=3C(C2)=CC=CC3)=O)=O)C(OC=2C(C1)=CC=C(N(CC)CC)C2)=O