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(+)-2,3,7,8-TETRAHYDRO-2,2,3,3,7,7,8,8-OCTAMETHYL-N(1),N(9)-[2,2,2',2'-TETRAMETHYL-1,1'-([(1R,2R)-CYClOHEXAN-1,2-DIYL]-BIS-[PROPYL])-11H-DIPYRRIN-1,9-DIIMINE
SpectraBase Compound ID KFDzYQHfya5
InChI InChI=1S/C33H54N6/c1-28(2,3)24-34-20-17-15-16-18-21(20)35-25(29(4,5)6)39-27-33(13,14)31(9,10)23(37-27)19-22-30(7,8)32(11,12)26(36-22)38-24/h19-21H,15-18H2,1-14H3,(H,34,36,38)/b22-19-,35-25+,39-27-/t20-,21-/m1/s1
InChIKey AONAXGNJWODDAR-MBYFKVCUSA-N
Mol Weight 534.8 g/mol
Molecular Formula C33H54N6
Exact Mass 534.440996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWJTS78VxSF
Name (+)-2,3,7,8-TETRAHYDRO-2,2,3,3,7,7,8,8-OCTAMETHYL-N(1),N(9)-[2,2,2',2'-TETRAMETHYL-1,1'-([(1R,2R)-CYClOHEXAN-1,2-DIYL]-BIS-[PROPYL])-11H-DIPYRRIN-1,9-DIIMINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H54N6
InChI InChI=1S/C33H54N6/c1-28(2,3)24-34-20-17-15-16-18-21(20)35-25(29(4,5)6)39-27-33(13,14)31(9,10)23(37-27)19-22-30(7,8)32(11,12)26(36-22)38-24/h19-21H,15-18H2,1-14H3,(H,34,36,38)/b22-19-,35-25+,39-27-/t20-,21-/m1/s1
InChIKey AONAXGNJWODDAR-MBYFKVCUSA-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 534.832 g/mol
Solvent CDCl3
Source File Reference UWCS15184