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#37;2-(6,6-DIMETHYLBICYCLO-[3.1.1]-HEPT-2-EN-2-YLMETHYL)-4-(4-FLUOROPHENYL)-4-OXO-2-TRIFLUOROMETHYLBUTYRIC-ACID-6,6-DIMETHYL-2-METHYLENEBICYCLO-[3.1.1]-HEPT-3-

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#37;2-(6,6-DIMETHYLBICYCLO-[3.1.1]-HEPT-2-EN-2-YLMETHYL)-4-(4-FLUOROPHENYL)-4-OXO-2-TRIFLUOROMETHYLBUTYRIC-ACID-6,6-DIMETHYL-2-METHYLENEBICYCLO-[3.1.1]-HEPT-3-
SpectraBase Compound ID G7XSemQxTwV
InChI InChI=1S/C31H36F4O3/c1-17-23-13-21(29(23,4)5)14-26(17)38-27(37)30(31(33,34)35,16-25(36)18-7-10-22(32)11-8-18)15-19-6-9-20-12-24(19)28(20,2)3/h6-8,10-11,20-21,23-24,26H,1,9,12-16H2,2-5H3/t20-,21+,23-,24-,26?,30?/m1/s1
InChIKey VOHWBBFAQKBFGY-UBIIANDMSA-N
Mol Weight 532.6 g/mol
Molecular Formula C31H36F4O3
Exact Mass 532.260058 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKdXJRSrT2m
Name #37;2-(6,6-DIMETHYLBICYCLO-[3.1.1]-HEPT-2-EN-2-YLMETHYL)-4-(4-FLUOROPHENYL)-4-OXO-2-TRIFLUOROMETHYLBUTYRIC-ACID-6,6-DIMETHYL-2-METHYLENEBICYCLO-[3.1.1]-HEPT-3-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36F4O3
InChI InChI=1S/C31H36F4O3/c1-17-23-13-21(29(23,4)5)14-26(17)38-27(37)30(31(33,34)35,16-25(36)18-7-10-22(32)11-8-18)15-19-6-9-20-12-24(19)28(20,2)3/h6-8,10-11,20-21,23-24,26H,1,9,12-16H2,2-5H3/t20-,21+,23-,24-,26?,30?/m1/s1
InChIKey VOHWBBFAQKBFGY-UBIIANDMSA-N
Literature Reference Author K.BURGER,L.HENNIG,A.FUCHS,D.GREIF,J.SPENGLER,F.ALBERICIO
Literature Reference Citation MH.CHEM.,136,1763(2005)
Literature Reference DOI 10.1007/s00706-005-0366-z
Solvent CDCl3
Source File Reference UWSI24215