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bis[N-(Methylene-4'-oxocoumarinyl)]-1,3-diaminopropane

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

bis[N-(Methylene-4'-oxocoumarinyl)]-1,3-diaminopropane
SpectraBase Compound ID AP2bE4KLH0d
InChI InChI=1S/C23H18N2O6/c1-13(25-12-17-21(27)15-7-3-5-9-19(15)31-23(17)29)10-24-11-16-20(26)14-6-2-4-8-18(14)30-22(16)28/h2-9,11-13,24-25H,10H2,1H3/b16-11-,17-12+
InChIKey NXHXOHNRZUPHBG-QJWWANOYSA-N
Mol Weight 418.41 g/mol
Molecular Formula C23H18N2O6
Exact Mass 418.116486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ZbkCiKgo8d
Name bis[N-(Methylene-4'-oxocoumarinyl)]-1,3-diaminopropane
Comments Computed using HOSE algorithm
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Exact Mass 418.116486302 u
Formula C23H18N2O6
InChI InChI=1S/C23H18N2O6/c1-13(25-12-17-21(27)15-7-3-5-9-19(15)31-23(17)29)10-24-11-16-20(26)14-6-2-4-8-18(14)30-22(16)28/h2-9,11-13,24-25H,10H2,1H3/b16-11-,17-12+
InChIKey NXHXOHNRZUPHBG-QJWWANOYSA-N
Molecular Weight 418.405 g/mol
SMILES C1(\C(C(C2=C(O1)C=CC=C2)=O)=C\NC(CN\C=C/1C(OC=2C(C1=O)=CC=CC2)=O)C)=O