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4,4'-bis(heptyloxy)-7,7'-dimethoxy-5,5'-dinitroindigotin
SpectraBase Compound ID JDIiEg5igxc
InChI InChI=1S/C32H40N4O10/c1-5-7-9-11-13-15-45-31-19(35(39)40)17-21(43-3)25-23(31)29(37)27(33-25)28-30(38)24-26(34-28)22(44-4)18-20(36(41)42)32(24)46-16-14-12-10-8-6-2/h17-18,33-34H,5-16H2,1-4H3/b28-27+
InChIKey FUOITWHWEIQAIX-BYYHNAKLSA-N
Mol Weight 640.7 g/mol
Molecular Formula C32H40N4O10
Exact Mass 640.274443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F19EadVERuz
Name 4,4'-bis(heptyloxy)-7,7'-dimethoxy-5,5'-dinitroindigotin
Alternate Name(s) 4-(heptyloxy)-2-[(2E)-4-(heptyloxy)-7-methoxy-5-nitro-3-oxo-2,3-dihydro-1H-indol-2-ylidene]-7-methoxy-5-nitro-2,3-dihydro-1H-indol-3-one 4-Heptyloxy-2-(4'-heptyloxy-1',3'-dihydro-2'-methoxy-5'-nitro-3'-oxo-2H-indol-2'-ylidene)-1,2-dihydro-7-methoxy-5-nitro-3H-indol-3-one
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Formula C32H40N4O10
InChI InChI=1S/C32H40N4O10/c1-5-7-9-11-13-15-45-31-19(35(39)40)17-21(43-3)25-23(31)29(37)27(33-25)28-30(38)24-26(34-28)22(44-4)18-20(36(41)42)32(24)46-16-14-12-10-8-6-2/h17-18,33-34H,5-16H2,1-4H3/b28-27+
InChIKey FUOITWHWEIQAIX-BYYHNAKLSA-N
Molecular Weight 640.690 g/mol
SMILES N1c2c(cc(c(c2C(\C1=C\1C(c2c(c(N(=O)=O)cc(c2N1)OC)OCCCCCCC)=O)=O)OCCCCCCC)N(=O)=O)OC
SPLASH splash10-002p-0001943000-5648118259da57847a6c
Source of Spectrum H-86-2001-2
Wiley ID 1525475