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3-[(4-BIPHENYLYL)-[4-(TRIFLUOROMETHYL)-PHENYL]-PHENYLMETHYL]-6-[(4-BIPHENYLYL)-[4-(TRIFLUOROMETHYL)-PHENYL]-METHYLENE]-1,4-CYCLOHEXADIENE;ISOMER-#1

View entire compound with spectra: 2 NMR

3-[(4-BIPHENYLYL)-[4-(TRIFLUOROMETHYL)-PHENYL]-PHENYLMETHYL]-6-[(4-BIPHENYLYL)-[4-(TRIFLUOROMETHYL)-PHENYL]-METHYLENE]-1,4-CYCLOHEXADIENE;ISOMER-#1
SpectraBase Compound ID 2Vmy1XURVNd
InChI InChI=1S/C52H36F6/c53-51(54,55)47-30-24-42(25-31-47)49(40-18-16-38(17-19-40)36-10-4-1-5-11-36)41-22-28-45(29-23-41)50(43-14-8-3-9-15-43,46-32-34-48(35-33-46)52(56,57)58)44-26-20-39(21-27-44)37-12-6-2-7-13-37/h1-35,45H/b49-41-
InChIKey ALGGKIRSVZLAFP-RJNVDUOCSA-N
Mol Weight 774.9 g/mol
Molecular Formula C52H36F6
Exact Mass 774.27212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxEzCelSyNI
Name 3-[(4-BIPHENYLYL)-[4-(TRIFLUOROMETHYL)-PHENYL]-PHENYLMETHYL]-6-[(4-BIPHENYLYL)-[4-(TRIFLUOROMETHYL)-PHENYL]-METHYLENE]-1,4-CYCLOHEXADIENE;ISOMER-#1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H36F6
InChI InChI=1S/C52H36F6/c53-51(54,55)47-30-24-42(25-31-47)49(40-18-16-38(17-19-40)36-10-4-1-5-11-36)41-22-28-45(29-23-41)50(43-14-8-3-9-15-43,46-32-34-48(35-33-46)52(56,57)58)44-26-20-39(21-27-44)37-12-6-2-7-13-37/h1-35,45H/b49-41-
InChIKey ALGGKIRSVZLAFP-RJNVDUOCSA-N
Literature Reference Author W.P.NEUMANN,A.PENENORY,U.STEWEN,M.LEHNIG
Literature Reference Citation J.AM.CHEM.SOC.,111,5845(1989)
Literature Reference DOI 10.1021/ja00197a053
Molecular Weight 774.848 g/mol
Solvent CDCl3
Source File Reference UWED10388