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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GD9YZRlTUAJ
Name bis[N-(Methylene-4'-oxocoumarinyl)]-1,3-diaminopropane
Alternate Name(s) bis[N-(Methylene-4'-oxocoumarinyl)]-2-methyl-1,2-diaminopropane
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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 N(\C=C\1C(Oc2c(C1=O)cccc2)=O)C(CN\C=C/1C(Oc2c(C1=O)cccc2)=O)C
SPLASH splash10-004i-0290000000-86bff1fe341c8a3a4969
Source of Spectrum OP-27-490-4
Wiley ID 850656