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3-(CYCLOPENTADIEN-1-YL)-1,1-DI-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-PROPANOL;MAJOR-ISOMER
SpectraBase Compound ID LVDn7D1sprT
InChI InChI=1S/C24H16F12O/c25-21(26,27)16-7-14(8-17(11-16)22(28,29)30)20(37,6-5-13-3-1-2-4-13)15-9-18(23(31,32)33)12-19(10-15)24(34,35)36/h1-3,7-12,37H,4-6H2
InChIKey BRGIVKXRXRXYRY-UHFFFAOYSA-N
Mol Weight 548.37 g/mol
Molecular Formula C24H16F12O
Exact Mass 548.100953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I4dKJeNOdIU
Name 3-(CYCLOPENTADIEN-1-YL)-1,1-DI-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-PROPANOL;MAJOR-ISOMER
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H16F12O
InChI InChI=1S/C24H16F12O/c25-21(26,27)16-7-14(8-17(11-16)22(28,29)30)20(37,6-5-13-3-1-2-4-13)15-9-18(23(31,32)33)12-19(10-15)24(34,35)36/h1-3,7-12,37H,4-6H2
InChIKey BRGIVKXRXRXYRY-UHFFFAOYSA-N
Literature Reference Author R.A.L.GENDRON,D.J.BERG,T.BARCLAY
Literature Reference Citation CAN.J.CHEM.,80,1285(2002)
Literature Reference DOI 10.1139/v02-174
Molecular Weight 548.371 g/mol
Solvent Unknown
Source File Reference UWVN27319