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7,8:9,10-DIBENZO-1,6-DIMETHYL-2,3,4,5-TETRAPHENYLSESQUIFULVALEN
SpectraBase Compound ID I5sxmOTA0MT
InChI InChI=1S/C46H34/c1-31-41(46-39-29-17-15-27-37(39)38-28-16-18-30-40(38)46)32(2)43(34-21-9-4-10-22-34)45(36-25-13-6-14-26-36)44(35-23-11-5-12-24-35)42(31)33-19-7-3-8-20-33/h3-30H,1-2H3
InChIKey OHSTXVFOCNUPQS-UHFFFAOYSA-N
Mol Weight 586.8 g/mol
Molecular Formula C46H34
Exact Mass 586.266051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18yndZj7Rzz
Name 7,8:9,10-DIBENZO-1,6-DIMETHYL-2,3,4,5-TETRAPHENYLSESQUIFULVALEN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H34
InChI InChI=1S/C46H34/c1-31-41(46-39-29-17-15-27-37(39)38-28-16-18-30-40(38)46)32(2)43(34-21-9-4-10-22-34)45(36-25-13-6-14-26-36)44(35-23-11-5-12-24-35)42(31)33-19-7-3-8-20-33/h3-30H,1-2H3
InChIKey OHSTXVFOCNUPQS-UHFFFAOYSA-N
Literature Reference Author L.KNOTHE,H.PRINZBACH,H.FRITZ
Literature Reference Citation LIEB.ANN.CHEM.,687(1977)
Molecular Weight 586.776 g/mol
Solvent CDCl3
Source File Reference UNIW11661