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1,4-bis{4'-[2"-bis(2'''-pyrrolyl) methyl] phenyl }-2,5-dimethoxybenzene
SpectraBase Compound ID 7xzQhhguGsU
InChI InChI=1S/C46H50N4O2/c1-51-43-31-36(20-6-4-16-34-18-8-10-22-38(34)46(41-25-13-29-49-41)42-26-14-30-50-42)44(52-2)32-35(43)19-5-3-15-33-17-7-9-21-37(33)45(39-23-11-27-47-39)40-24-12-28-48-40/h7-14,17-18,21-32,45-50H,3-6,15-16,19-20H2,1-2H3
InChIKey DLXRQGLGSHKDKE-UHFFFAOYSA-N
Mol Weight 690.9 g/mol
Molecular Formula C46H50N4O2
Exact Mass 690.393377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eKo1yE7Dz0
Name 1,4-bis{4'-[2"-bis(2'''-pyrrolyl) methyl] phenyl }-2,5-dimethoxybenzene
Alternate Name(s) 1,4-bis{4'-[2''-bis(2'''-pyrrolyl) methyl]phenyl}-2,5-dimethoxybenzene 1,4-bis{4'-[2''-bis(2'''-pyrrolyl) methyl]phenyl}-2,5-dimethoxybenzene
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Formula C46H50N4O2
InChI InChI=1S/C46H50N4O2/c1-51-43-31-36(20-6-4-16-34-18-8-10-22-38(34)46(41-25-13-29-49-41)42-26-14-30-50-42)44(52-2)32-35(43)19-5-3-15-33-17-7-9-21-37(33)45(39-23-11-27-47-39)40-24-12-28-48-40/h7-14,17-18,21-32,45-50H,3-6,15-16,19-20H2,1-2H3
InChIKey DLXRQGLGSHKDKE-UHFFFAOYSA-N
Molecular Weight 690.932 g/mol
SMILES [nH]1cccc1C(c1c(CCCCc2cc(c(CCCCc3c(C(c4[nH]ccc4)c4[nH]ccc4)cccc3)cc2OC)OC)cccc1)c1[nH]ccc1
SPLASH splash10-0006-0200009000-4be40267e9e428705dc8
Source of Spectrum K-127-226-5
Wiley ID 1414697