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(+)-4,4'-([(1R,2R)-CYClOHEXAN-1,2-DIYL]-DINITRILO)-3,3,3',3'-TETRAMETHYL-4,4'-[(2,3,7,8-TETRAHYDRO-2,2,3,3,7,7,8,8-OCTAMETHYL-11H-DIPYRRIN-1,9-DIYLIDEN)-DIN

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(+)-4,4'-([(1R,2R)-CYClOHEXAN-1,2-DIYL]-DINITRILO)-3,3,3',3'-TETRAMETHYL-4,4'-[(2,3,7,8-TETRAHYDRO-2,2,3,3,7,7,8,8-OCTAMETHYL-11H-DIPYRRIN-1,9-DIYLIDEN)-DIN
SpectraBase Compound ID 38G0b1R0gWI
InChI InChI=1S/C39H62N6O4/c1-15-48-28(46)22-34(3,4)30-40-24-19-17-18-20-25(24)41-31(35(5,6)23-29(47)49-16-2)45-33-39(13,14)37(9,10)27(43-33)21-26-36(7,8)38(11,12)32(42-26)44-30/h21,24-25H,15-20,22-23H2,1-14H3,(H,40,42,44)/b26-21-,41-31+,45-33-/t24-,25-/m1/s1
InChIKey QYQDQVCXWBZFEF-FKLZXMAZSA-N
Mol Weight 679.0 g/mol
Molecular Formula C39H62N6O4
Exact Mass 678.483254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwLXbD2ZcQ1
Name (+)-4,4'-([(1R,2R)-CYClOHEXAN-1,2-DIYL]-DINITRILO)-3,3,3',3'-TETRAMETHYL-4,4'-[(2,3,7,8-TETRAHYDRO-2,2,3,3,7,7,8,8-OCTAMETHYL-11H-DIPYRRIN-1,9-DIYLIDEN)-DIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H62N6O4
InChI InChI=1S/C39H62N6O4/c1-15-48-28(46)22-34(3,4)30-40-24-19-17-18-20-25(24)41-31(35(5,6)23-29(47)49-16-2)45-33-39(13,14)37(9,10)27(43-33)21-26-36(7,8)38(11,12)32(42-26)44-30/h21,24-25H,15-20,22-23H2,1-14H3,(H,40,42,44)/b26-21-,41-31+,45-33-/t24-,25-/m1/s1
InChIKey QYQDQVCXWBZFEF-FKLZXMAZSA-N
Literature Reference Author R.HAERTER,C.WEYMUTH,R.SCHEFFOLD,P.ENGEL,A.LINDEN
Literature Reference Citation HELV.CHIM.ACTA,76,353(1993)
Literature Reference DOI 10.1002/hlca.19930760120
Molecular Weight 678.959 g/mol
Solvent CDCl3
Source File Reference UWCS15190