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7-Diethylamino-3-(3,4-ethylenedioxybenzoyl)coumarin

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7-Diethylamino-3-(3,4-ethylenedioxybenzoyl)coumarin
SpectraBase Compound ID EYNY7ikcXSm
InChI InChI=1S/C22H21NO5/c1-3-23(4-2)16-7-5-14-11-17(22(25)28-19(14)13-16)21(24)15-6-8-18-20(12-15)27-10-9-26-18/h5-8,11-13H,3-4,9-10H2,1-2H3
InChIKey XASSPLNCKYKCFW-UHFFFAOYSA-N
Mol Weight 379.41 g/mol
Molecular Formula C22H21NO5
Exact Mass 379.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FHEfzlDjR7H
Name 7-Diethylamino-3-(3,4-ethylenedioxybenzoyl)coumarin
Comments Computed using HOSE algorithm
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Exact Mass 379.141972775 u
Formula C22H21NO5
InChI InChI=1S/C22H21NO5/c1-3-23(4-2)16-7-5-14-11-17(22(25)28-19(14)13-16)21(24)15-6-8-18-20(12-15)27-10-9-26-18/h5-8,11-13H,3-4,9-10H2,1-2H3
InChIKey XASSPLNCKYKCFW-UHFFFAOYSA-N
Molecular Weight 379.412 g/mol
SMILES C=1(C(OC2=C(C1)C=CC(N(CC)CC)=C2)=O)C(C=1C=C2OCCOC2=CC1)=O