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2,5,8,11-TETRA-TERT.-BUTYL-DIINDENO-[1,2,3,4-DEFG;1',2',3',4'-MNOP]-CHRYSENE
SpectraBase Compound ID CY3KWYlzhYR
InChI InChI=1S/C42H44/c1-39(2,3)21-13-25-26-14-22(40(4,5)6)19-31-32-20-24(42(10,11)12)16-28-27-15-23(41(7,8)9)18-30-29(17-21)33(25)37(34(26)31)38(35(27)30)36(28)32/h13-20H,1-12H3
InChIKey BZRKVZDQQREAOP-UHFFFAOYSA-N
Mol Weight 548.8 g/mol
Molecular Formula C42H44
Exact Mass 548.344301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lR1JIwbvkf
Name 2,5,8,11-TETRA-TERT.-BUTYL-DIINDENO-[1,2,3,4-DEFG;1',2',3',4'-MNOP]-CHRYSENE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H44
InChI InChI=1S/C42H44/c1-39(2,3)21-13-25-26-14-22(40(4,5)6)19-31-32-20-24(42(10,11)12)16-28-27-15-23(41(7,8)9)18-30-29(17-21)33(25)37(34(26)31)38(35(27)30)36(28)32/h13-20H,1-12H3
InChIKey BZRKVZDQQREAOP-UHFFFAOYSA-N
Literature Reference Author R.SHENHAR,R.BEUST,R.E.HOFFMAN,I.WILNER,H.E.BRONSTEIN,L.T.SCO TT,M.RABINOVITZ
Literature Reference Citation J.ORG.CHEM.,66,6004(2001)
Literature Reference DOI 10.1021/jo010103f
Molecular Weight 548.811 g/mol
Solvent THF-D8
Source File Reference UWVN24466