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6,9-bis[2-(2-Methoxyethylamino)ethylamino]benz[G]isoquinoline-5,10-quinone
SpectraBase Compound ID CWtfMolUk05
InChI InChI=1S/C23H31N5O4/c1-31-13-11-24-7-9-27-18-3-4-19(28-10-8-25-12-14-32-2)21-20(18)22(29)16-5-6-26-15-17(16)23(21)30/h3-6,15,24-25,27-28H,7-14H2,1-2H3
InChIKey QZIGILJWAQNNFB-UHFFFAOYSA-N
Mol Weight 441.53 g/mol
Molecular Formula C23H31N5O4
Exact Mass 441.237604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HaDzYpYxqqC
Name 6,9-bis[2-(2-Methoxyethylamino)ethylamino]benz[G]isoquinoline-5,10-quinone
Comments Computed using HOSE algorithm
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Exact Mass 441.237604494 u
Formula C23H31N5O4
InChI InChI=1S/C23H31N5O4/c1-31-13-11-24-7-9-27-18-3-4-19(28-10-8-25-12-14-32-2)21-20(18)22(29)16-5-6-26-15-17(16)23(21)30/h3-6,15,24-25,27-28H,7-14H2,1-2H3
InChIKey QZIGILJWAQNNFB-UHFFFAOYSA-N
Molecular Weight 441.532 g/mol
SMILES C=12C(C(=O)C3=C(C2=O)C=NC=C3)=C(NCCNCCOC)C=CC1NCCNCCOC