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1,4-bis{5-[5[(2,2-dicyanovinyl)-2,4-dimethylpyrrol-3-yl]pentyl}-2,3,5,6-tetramethylbenzene
SpectraBase Compound ID Ba46vTzKym6
InChI InChI=1S/C40H48N6/c1-25-26(2)36(16-12-10-14-18-38-30(6)40(46-32(38)8)20-34(23-43)24-44)28(4)27(3)35(25)15-11-9-13-17-37-29(5)39(45-31(37)7)19-33(21-41)22-42/h19-20,45-46H,9-18H2,1-8H3
InChIKey RHWQESBZIHWQGE-UHFFFAOYSA-N
Mol Weight 612.9 g/mol
Molecular Formula C40H48N6
Exact Mass 612.394046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ky8zGHESOl
Name 1,4-BIS-{5-[5-(2,2-DICYANOVINYL)-2,4-DIMETHYLPYRROL-3-YL]-PENTYL}-2,3,5,6-TETRAMETHYLBENZENE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H48N6
InChI InChI=1S/C40H48N6/c1-25-26(2)36(16-12-10-14-18-38-30(6)40(46-32(38)8)20-34(23-43)24-44)28(4)27(3)35(25)15-11-9-13-17-37-29(5)39(45-31(37)7)19-33(21-41)22-42/h19-20,45-46H,9-18H2,1-8H3
InChIKey RHWQESBZIHWQGE-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 612.861 g/mol
Solvent CDCl3:CF3COOH=9:1
Source File Reference UWED2456