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4,4'-bis(Pentyloxy)-7,7'-dimethoxy-5,5'-dinitroindigotin
SpectraBase Compound ID ICa0dAG2Kb7
InChI InChI=1S/C28H32N4O10/c1-5-7-9-11-41-27-15(31(35)36)13-17(39-3)21-19(27)25(33)23(29-21)24-26(34)20-22(30-24)18(40-4)14-16(32(37)38)28(20)42-12-10-8-6-2/h13-14,29-30H,5-12H2,1-4H3/b24-23+
InChIKey WWNXOKKGFNENPP-WCWDXBQESA-N
Mol Weight 584.6 g/mol
Molecular Formula C28H32N4O10
Exact Mass 584.211843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XvjCidXW8V
Name 4,4'-bis(pentyloxy)-7,7'-dimethoxy-5,5'-dinitroindigotin
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Formula C28H32N4O10
InChI InChI=1S/C28H32N4O10/c1-5-7-9-11-41-27-15(31(35)36)13-17(39-3)21-19(27)25(33)23(29-21)24-26(34)20-22(30-24)18(40-4)14-16(32(37)38)28(20)42-12-10-8-6-2/h13-14,29-30H,5-12H2,1-4H3/b24-23+
InChIKey WWNXOKKGFNENPP-WCWDXBQESA-N
Molecular Weight 584.582 g/mol
SMILES N1c2c(cc(c(c2C(\C1=C\1C(c2c(c(N(=O)=O)cc(c2N1)OC)OCCCCC)=O)=O)OCCCCC)N(=O)=O)OC
SPLASH splash10-01rw-0000940000-f8657eada4c5942c49ce
Source of Spectrum H-86-2001-2
Synonyms 4-Pentyloxy-2-(4'-pentyloxy-1',3'-dihydro-2'-methoxy-5'-nitro-3'-oxo-2H-indol-2'-ylidene)-1,2-dihydro-7-methoxy-5-nitro-3H-indol-3-one 7-Methoxy-2-[(2E)-7-methoxy-5-nitro-3-oxo-4-(pentyloxy)-2,3-dihydro-1H-indol-2-ylidene]-5-nitro-4-(pentyloxy)-2,3-dihydro-1H-indol-3-one
Wiley ID 1525477