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2,3,6,7,10,11-HEXAKIS-[(E)-2-(METHOXYCARBONYL)-VINYL]-4B,8B,12B,12D-TETRAMETHYL-4B,8B,12B,12D-TETRAHYDRODIBENZO-[2,3:4,5]-PENTALENO-[1,6-AB]-INDENE
SpectraBase Compound ID 2FDo60Ia1J5
InChI InChI=1S/C50H48O12/c1-47-35-23-29(11-17-41(51)57-5)31(13-19-43(53)59-7)25-37(35)48(2)39-27-33(15-21-45(55)61-9)34(16-22-46(56)62-10)28-40(39)49(3,50(47,48)4)38-26-32(14-20-44(54)60-8)30(24-36(38)47)12-18-42(52)58-6/h11-28H,1-10H3/b17-11+,18-12+,19-13+,20-14+,21-15+,22-16+/t47-,48+,49-,50+
InChIKey HJGPRMIHPPSSOW-KPNMEXRCSA-N
Mol Weight 840.9 g/mol
Molecular Formula C50H48O12
Exact Mass 840.314577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9XtltPOYWED
Name 2,3,6,7,10,11-HEXAKIS-[(E)-2-(METHOXYCARBONYL)-VINYL]-4B,8B,12B,12D-TETRAMETHYL-4B,8B,12B,12D-TETRAHYDRODIBENZO-[2,3:4,5]-PENTALENO-[1,6-AB]-INDENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H48O12
InChI InChI=1S/C50H48O12/c1-47-35-23-29(11-17-41(51)57-5)31(13-19-43(53)59-7)25-37(35)48(2)39-27-33(15-21-45(55)61-9)34(16-22-46(56)62-10)28-40(39)49(3,50(47,48)4)38-26-32(14-20-44(54)60-8)30(24-36(38)47)12-18-42(52)58-6/h11-28H,1-10H3/b17-11+,18-12+,19-13+,20-14+,21-15+,22-16+/t47-,48+,49-,50+
InChIKey HJGPRMIHPPSSOW-KPNMEXRCSA-N
Literature Reference Author X.P.CAO,D.BARTH,D.KUCK
Literature Reference Citation EUR.J.ORG.CHEM.,3482(2005)
Molecular Weight 840.924 g/mol
Sample ID 30203
Solvent CDCl3