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4,4'-bis(hexyloxy)-7,7'-dimethoxy-5,5'-diaminoindigotin
SpectraBase Compound ID 9AqlI7Pg8Xd
InChI InChI=1S/C30H40N4O6/c1-5-7-9-11-13-39-29-17(31)15-19(37-3)23-21(29)27(35)25(33-23)26-28(36)22-24(34-26)20(38-4)16-18(32)30(22)40-14-12-10-8-6-2/h15-16,33-34H,5-14,31-32H2,1-4H3/b26-25+
InChIKey KPSLDXZXDIMYKF-OCEACIFDSA-N
Mol Weight 552.7 g/mol
Molecular Formula C30H40N4O6
Exact Mass 552.294785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxQwtNct4RS
Name 4,4'-bis(hexyloxy)-7,7'-dimethoxy-5,5'-diaminoindigotin
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Formula C30H40N4O6
InChI InChI=1S/C30H40N4O6/c1-5-7-9-11-13-39-29-17(31)15-19(37-3)23-21(29)27(35)25(33-23)26-28(36)22-24(34-26)20(38-4)16-18(32)30(22)40-14-12-10-8-6-2/h15-16,33-34H,5-14,31-32H2,1-4H3/b26-25+
InChIKey KPSLDXZXDIMYKF-OCEACIFDSA-N
Molecular Weight 552.672 g/mol
SMILES Nc1c(c2C(\C(=C/3C(c4c(c(N)cc(c4N3)OC)OCCCCCC)=O)Nc2c(c1)OC)=O)OCCCCCC
SPLASH splash10-0udi-0104390000-df839b895bfac9c85d40
Source of Spectrum H-86-2003-1
Synonyms 5-Amino-2-[(2E)-5-amino-4-(hexyloxy)-7-methoxy-3-oxo-2,3-dihydro-1H-indol-2-ylidene]-4-(hexyloxy)-7-methoxy-2,3-dihydro-1H-indol-3-one 5-Amino-2-[1',3'-dihydro-5'-amino-7'-methoxy-4'-hexyloxy-3'-oxo-2H-indol-2'-ylidene)-4-hexyloxy-1,2-dihydro-7-methoxy-3H-indol-3-one
Wiley ID 1525468