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4,4'-Dipropoxy-7,7'-dimethoxy-5,5'-dinitroindigotin
SpectraBase Compound ID 2nEBbIJhvTf
InChI InChI=1S/C24H24N4O10/c1-5-7-37-23-11(27(31)32)9-13(35-3)17-15(23)21(29)19(25-17)20-22(30)16-18(26-20)14(36-4)10-12(28(33)34)24(16)38-8-6-2/h9-10,25-26H,5-8H2,1-4H3/b20-19+
InChIKey PQLZQRKGWSYFFQ-FMQUCBEESA-N
Mol Weight 528.47 g/mol
Molecular Formula C24H24N4O10
Exact Mass 528.149243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUNFQyKWVzo
Name 4,4'-Dipropoxy-7,7'-dimethoxy-5,5'-dinitroindigotin
Alternate Name(s) 4-Propoxy-2-(4'-propoxy-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-propoxy-2,3-dihydro-1H-indol-2-ylidene]-5-nitro-4-propoxy-2,3-dihydro-1H-indol-3-one
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Formula C24H24N4O10
InChI InChI=1S/C24H24N4O10/c1-5-7-37-23-11(27(31)32)9-13(35-3)17-15(23)21(29)19(25-17)20-22(30)16-18(26-20)14(36-4)10-12(28(33)34)24(16)38-8-6-2/h9-10,25-26H,5-8H2,1-4H3/b20-19+
InChIKey PQLZQRKGWSYFFQ-FMQUCBEESA-N
Molecular Weight 528.474 g/mol
SMILES N1c2c(cc(c(c2C(\C1=C\1C(c2c(c(N(=O)=O)cc(c2N1)OC)OCCC)=O)=O)OCCC)N(=O)=O)OC
SPLASH splash10-004i-0001960000-d0599e5eae334ed86310
Source of Spectrum H-86-2000-2
Wiley ID 1525479