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2-TERT.-BUTYL-6-(4-TERT.-BUTYLCYCLOPENTADIENYL)-1H-PENTAFULVENIUM-TRIFLUOROACETATE
SpectraBase Compound ID 4XeYWcbfmpx
InChI InChI=1S/C19H28.C2HF3O2/c1-18(2,3)16-9-7-14(12-16)11-15-8-10-17(13-15)19(4,5)6;3-2(4,5)1(6)7/h7-10H,11-13H2,1-6H3;(H,6,7)/p-1
InChIKey XHEIJCCFFUXZDY-UHFFFAOYSA-M
Mol Weight 369.45 g/mol
Molecular Formula C21H28F3O2
Exact Mass 369.20414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9aqmYASnT4
Name 2-TERT.-BUTYL-6-(4-TERT.-BUTYLCYCLOPENTADIENYL)-1H-PENTAFULVENIUM-TRIFLUOROACETATE
CAS Registry Number 125765-05-1
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28F3O2
InChI InChI=1S/C19H28.C2HF3O2/c1-18(2,3)16-9-7-14(12-16)11-15-8-10-17(13-15)19(4,5)6;3-2(4,5)1(6)7/h7-10H,11-13H2,1-6H3;(H,6,7)/p-1
InChIKey XHEIJCCFFUXZDY-UHFFFAOYSA-M
Literature Reference Author M.EIERMANN,B.STOWASSER,K.HAFNER,K.BIERWIRTH,A.FRANK,A.LERCH, J.REUSSWIG
Literature Reference Citation CHEM.BER.,123,1421(1990)
Literature Reference DOI 10.1002/cber.19901230636
Molecular Weight 369.447 g/mol
Solvent CDCl3:CF3COOH=3:1
Source File Reference UWCS12986