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1,4-BIS-[5-[2-[(5-CARBETHOXY-3-ETHYL-2-METHYLPYRROL-2-YL)-METHYL]-5-(2,2-DICYANOETHENYL)-4-METHYL-PYRROL-3-YL]-PENTYL]-2,3,5,6-TETRAMETHYLBENZENE

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1,4-BIS-[5-[2-[(5-CARBETHOXY-3-ETHYL-2-METHYLPYRROL-2-YL)-METHYL]-5-(2,2-DICYANOETHENYL)-4-METHYL-PYRROL-3-YL]-PENTYL]-2,3,5,6-TETRAMETHYLBENZENE
SpectraBase Compound ID BHAx6iYwF3U
InChI InChI=1S/C60H74N8O4/c1-13-45-41(11)57(59(69)71-15-3)67-53(45)29-55-49(39(9)51(65-55)27-43(31-61)32-62)25-21-17-19-23-47-35(5)37(7)48(38(8)36(47)6)24-20-18-22-26-50-40(10)52(28-44(33-63)34-64)66-56(50)30-54-46(14-2)42(12)58(68-54)60(70)72-16-4/h27-28,65-68H,13-26,29-30H2,1-12H3
InChIKey WPNYVIIXBKEHEO-UHFFFAOYSA-N
Mol Weight 971.3 g/mol
Molecular Formula C60H74N8O4
Exact Mass 970.583303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A12we7AY0o4
Name 1,4-BIS-[5-[2-[(5-CARBETHOXY-3-ETHYL-2-METHYLPYRROL-2-YL)-METHYL]-5-(2,2-DICYANOETHENYL)-4-METHYL-PYRROL-3-YL]-PENTYL]-2,3,5,6-TETRAMETHYLBENZENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H74N8O4
InChI InChI=1S/C60H74N8O4/c1-13-45-41(11)57(59(69)71-15-3)67-53(45)29-55-49(39(9)51(65-55)27-43(31-61)32-62)25-21-17-19-23-47-35(5)37(7)48(38(8)36(47)6)24-20-18-22-26-50-40(10)52(28-44(33-63)34-64)66-56(50)30-54-46(14-2)42(12)58(68-54)60(70)72-16-4/h27-28,65-68H,13-26,29-30H2,1-12H3
InChIKey WPNYVIIXBKEHEO-UHFFFAOYSA-N
Literature Reference Author T.P.WIJESEKERA,S.DAVID,J.B.PAINE,B.R.JAMES,D.DOLPHIN
Literature Reference Citation CAN.J.CHEM.,66,2063(1988)
Literature Reference DOI 10.1139/v88-331
Molecular Weight 971.299 g/mol
Solvent CDCl3:CF3COOH=9:1
Source File Reference UWED2457