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CIS-1,3-BIS-(1',1',3',3'-TETRAMETHYL-1',3'-DIHYDROISOINDOLIN-2'-YLOXYL)-2-(DIPHENYLMETHYLIDENE)-CYClOPENTA
SpectraBase Compound ID wA2JYuH1F3
InChI InChI=1S/C42H48N2O2/c1-39(2)31-23-15-16-24-32(31)40(3,4)43(39)45-35-27-28-36(46-44-41(5,6)33-25-17-18-26-34(33)42(44,7)8)38(35)37(29-19-11-9-12-20-29)30-21-13-10-14-22-30/h9-26,35-36H,27-28H2,1-8H3/t35-,36+
InChIKey IPAGXWYADKTIKI-TYHGNQNSSA-N
Mol Weight 612.9 g/mol
Molecular Formula C42H48N2O2
Exact Mass 612.371579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jcstYZbPI5
Name CIS-1,3-BIS-(1',1',3',3'-TETRAMETHYL-1',3'-DIHYDROISOINDOLIN-2'-YLOXYL)-2-(DIPHENYLMETHYLIDENE)-CYClOPENTA
CAS Registry Number 138062-41-6
Compound Number CIS-3CNE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H48N2O2
InChI InChI=1S/C42H48N2O2/c1-39(2)31-23-15-16-24-32(31)40(3,4)43(39)45-35-27-28-36(46-44-41(5,6)33-25-17-18-26-34(33)42(44,7)8)38(35)37(29-19-11-9-12-20-29)30-21-13-10-14-22-30/h9-26,35-36H,27-28H2,1-8H3/t35-,36+
InChIKey IPAGXWYADKTIKI-TYHGNQNSSA-N
Literature Reference Author W.ADAM,S.E.BOTTLE,R.FINZEL,T.KAMMEL,E.M.PETERS,K.PETERS,H.G. VONSCHNERING,L.WALZ
Literature Reference Citation J.ORG.CHEM.,57,982(1992)
Literature Reference DOI 10.1021/jo00029a036
Molecular Weight 612.855 g/mol
Solvent CDCl3
Source File Reference UWRK2298