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4,4'-bis(heptyloxy)-7,7'-dimethoxy-5,5'-diaminoindigotin
SpectraBase Compound ID 3JazIkOqPpg
InChI InChI=1S/C32H44N4O6/c1-5-7-9-11-13-15-41-31-19(33)17-21(39-3)25-23(31)29(37)27(35-25)28-30(38)24-26(36-28)22(40-4)18-20(34)32(24)42-16-14-12-10-8-6-2/h17-18,35-36H,5-16,33-34H2,1-4H3/b28-27+
InChIKey MRYUINNNINVGJU-BYYHNAKLSA-N
Mol Weight 580.7 g/mol
Molecular Formula C32H44N4O6
Exact Mass 580.326085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DA6ea8MuGBx
Name 4,4'-bis(heptyloxy)-7,7'-dimethoxy-5,5'-diaminoindigotin
Alternate Name(s) 5-Amino-2-[(2E)-5-amino-4-(heptyloxy)-7-methoxy-3-oxo-2,3-dihydro-1H-indol-2-ylidene]-4-(heptyloxy)-7-methoxy-2,3-dihydro-1H-indol-3-one 5-Amino-2-[1',3'-dihydro-5'-amino-7'-methoxy-4'-heptyloxy-3'-oxo-2H-indol-2'-ylidene)-4-heptyloxy-1,2-dihydro-7-methoxy-3H-indol-3-one
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Formula C32H44N4O6
InChI InChI=1S/C32H44N4O6/c1-5-7-9-11-13-15-41-31-19(33)17-21(39-3)25-23(31)29(37)27(35-25)28-30(38)24-26(36-28)22(40-4)18-20(34)32(24)42-16-14-12-10-8-6-2/h17-18,35-36H,5-16,33-34H2,1-4H3/b28-27+
InChIKey MRYUINNNINVGJU-BYYHNAKLSA-N
Molecular Weight 580.726 g/mol
SMILES Nc1c(c2C(\C(=C/3C(c4c(c(N)cc(c4N3)OC)OCCCCCCC)=O)Nc2c(c1)OC)=O)OCCCCCCC
SPLASH splash10-001i-0109360000-7f5498daf799d955b3f3
Source of Spectrum H-86-2003-1
Wiley ID 1525467