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4,4'-Diethoxy-7,7'-dimethoxy-5,5'-dinitroindigotin
SpectraBase Compound ID 8Z1GtI9YiHs
InChI InChI=1S/C22H20N4O10/c1-5-35-21-9(25(29)30)7-11(33-3)15-13(21)19(27)17(23-15)18-20(28)14-16(24-18)12(34-4)8-10(26(31)32)22(14)36-6-2/h7-8,23-24H,5-6H2,1-4H3/b18-17+
InChIKey IBJFSKCZZPTCHS-ISLYRVAYSA-N
Mol Weight 500.42 g/mol
Molecular Formula C22H20N4O10
Exact Mass 500.117943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LT13HSZbtQH
Name 4,4'-Diethoxy-7,7'-dimethoxy-5,5'-dinitroindigotin
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Formula C22H20N4O10
InChI InChI=1S/C22H20N4O10/c1-5-35-21-9(25(29)30)7-11(33-3)15-13(21)19(27)17(23-15)18-20(28)14-16(24-18)12(34-4)8-10(26(31)32)22(14)36-6-2/h7-8,23-24H,5-6H2,1-4H3/b18-17+
InChIKey IBJFSKCZZPTCHS-ISLYRVAYSA-N
Molecular Weight 500.420 g/mol
SMILES N1c2c(cc(c(c2C(\C1=C\1C(c2c(c(N(=O)=O)cc(c2N1)OC)OCC)=O)=O)OCC)N(=O)=O)OC
SPLASH splash10-0udj-0006690000-878f4c212a55014b7e1a
Source of Spectrum H-86-2000-2
Synonyms 4-Ethoxy-2-(4'-ethoxy-1',3'-dihydro-2'-methoxy-5'-nitro-3'-oxo-2H-indol-2'-ylidene)-1,2-dihydro-7-methoxy-5-nitro-3H-indol-3-one 4-Ethoxy-2-[(2E)-4-ethoxy-7-methoxy-5-nitro-3-oxo-2,3-dihydro-1H-indol-2-ylidene]-7-methoxy-5-nitro-2,3-dihydro-1H-indol-3-one
Wiley ID 1525480