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3-(cis-4-tert-Butylcyclohexyl)-3-(2-(cis-4-tert-butylcyclohexyl)naphtho-1,4-quinon-3-yl)oxy-2-oxo-2,3-dihydronaphtho-1,4-quinone

View entire compound with spectra: 1 NMR

3-(cis-4-tert-Butylcyclohexyl)-3-(2-(cis-4-tert-butylcyclohexyl)naphtho-1,4-quinon-3-yl)oxy-2-oxo-2,3-dihydronaphtho-1,4-quinone
SpectraBase Compound ID B0PgDucuiRd
InChI InChI=1S/C40H46O6/c1-38(2,3)24-17-15-23(16-18-24)31-32(41)27-11-7-8-12-28(27)33(42)35(31)46-40(26-21-19-25(20-22-26)39(4,5)6)36(44)30-14-10-9-13-29(30)34(43)37(40)45/h7-14,23-26H,15-22H2,1-6H3/t23-,24+,25-,26+,40-/m0/s1
InChIKey AZFKARCRIHKFAU-XBEBAWBOSA-N
Mol Weight 622.8 g/mol
Molecular Formula C40H46O6
Exact Mass 622.329439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G2vjMAwGTr5
Name 3-(CIS-4-TERT.-BUTYLCYCLOHEXYL)-3-[2-(CIS-4-TERT.-BUTYLCYCLOHEXYL)-NAPHTHO-1,4-QUINON-3-YL]-OXY-2-OXO-2,3-DIHYDRONAPHTHO-1,4-QUINONE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46O6
InChI InChI=1S/C40H46O6/c1-38(2,3)24-17-15-23(16-18-24)31-32(41)27-11-7-8-12-28(27)33(42)35(31)46-40(26-21-19-25(20-22-26)39(4,5)6)36(44)30-14-10-9-13-29(30)34(43)37(40)45/h7-14,23-26H,15-22H2,1-6H3/t23-,24+,25-,26+,40-/m0/s1
InChIKey AZFKARCRIHKFAU-XBEBAWBOSA-N
Literature Reference Author I.D.CUNNINGHAM,T.N.DANKS,K.T.A.O.CONNELL,P.W.SCOTT
Literature Reference Citation J.ORG.CHEM.,64,7330(1999)
Literature Reference DOI 10.1021/jo990297n
Molecular Weight 622.802 g/mol
Sample ID 59355
Solvent CDCl3