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5-Methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)-phenyl-methyl]indole-4,7-dione
SpectraBase Compound ID 60EUovweWAE
InChI InChI=1S/C24H20N2O6/c1-14-20(21-22(25(14)2)18(27)13-19(31-3)23(21)28)24(15-7-5-4-6-8-15)32-17-11-9-16(10-12-17)26(29)30/h4-13,24H,1-3H3
InChIKey PFJUFXRCHZRORE-UHFFFAOYSA-N
Mol Weight 432.43 g/mol
Molecular Formula C24H20N2O6
Exact Mass 432.132136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hWeZN0idPE
Name 5-Methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)-phenyl-methyl]indole-4,7-dione
Comments Computed using HOSE algorithm
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Exact Mass 432.132136366 u
Formula C24H20N2O6
InChI InChI=1S/C24H20N2O6/c1-14-20(21-22(25(14)2)18(27)13-19(31-3)23(21)28)24(15-7-5-4-6-8-15)32-17-11-9-16(10-12-17)26(29)30/h4-13,24H,1-3H3
InChIKey PFJUFXRCHZRORE-UHFFFAOYSA-N
Molecular Weight 432.432 g/mol
SMILES C=1(N(C=2C(C=C(C(C2C1C(C=1C=CC=CC1)OC=1C=CC(=CC1)N(=O)=O)=O)OC)=O)C)C