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4,4'-Dibutoxy-7,7'-dimethoxy-5,5'-diaminoindigotin
SpectraBase Compound ID DjcNg00El8H
InChI InChI=1S/C26H32N4O6/c1-5-7-9-35-25-13(27)11-15(33-3)19-17(25)23(31)21(29-19)22-24(32)18-20(30-22)16(34-4)12-14(28)26(18)36-10-8-6-2/h11-12,29-30H,5-10,27-28H2,1-4H3/b22-21+
InChIKey FDHURAKPIZJHDD-QURGRASLSA-N
Mol Weight 496.6 g/mol
Molecular Formula C26H32N4O6
Exact Mass 496.232185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUWYuFWGmNc
Name 4,4'-Dibutoxy-7,7'-dimethoxy-5,5'-diaminoindigotin
Alternate Name(s) 5-Amino-2-[(2E)-5-amino-4-butoxy-7-methoxy-3-oxo-2,3-dihydro-1H-indol-2-ylidene]-4-butoxy-7-methoxy-2,3-dihydro-1H-indol-3-one 5-Amino-2-[1',3'-dihydro-5'-amino-7'-methoxy-4'-butoxy-3'-oxo-2H-indol-2'-ylidene)-4-butoxy-1,2-dihydro-7-methoxy-3H-indol-3-one
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Formula C26H32N4O6
InChI InChI=1S/C26H32N4O6/c1-5-7-9-35-25-13(27)11-15(33-3)19-17(25)23(31)21(29-19)22-24(32)18-20(30-22)16(34-4)12-14(28)26(18)36-10-8-6-2/h11-12,29-30H,5-10,27-28H2,1-4H3/b22-21+
InChIKey FDHURAKPIZJHDD-QURGRASLSA-N
Molecular Weight 496.564 g/mol
SMILES Nc1c(c2C(\C(=C/3C(c4c(c(N)cc(c4N3)OC)OCCCC)=O)Nc2c(c1)OC)=O)OCCCC
SPLASH splash10-000b-0003900000-b71651f53489b80208fa
Source of Spectrum H-86-2002-1
Wiley ID 1525470