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MAJOR-ISOMER

View entire compound with spectra: 1 NMR

MAJOR-ISOMER
SpectraBase Compound ID IdPKDWlie1E
InChI InChI=1S/C16H17N.C6.C2H3N.F6P.Rh/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;1-2-4-6-5-3-1;1-2-3;1-7(2,3,4,5)6;/h3-11,13-14H,1-2H3;;1H3;;/q-1;;;-1;+2/t13-,14+;;;;/m0..../s1
InChIKey TXAFJXZBDSYYRF-CIGCOMLQSA-N
Mol Weight 584.31 g/mol
Molecular Formula C24H20F6N2PRh
Exact Mass 584.03232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeMQnlsDqEc
Name MAJOR-ISOMER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H20F6N2PRh
InChI InChI=1S/C16H17N.C6.C2H3N.F6P.Rh/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;1-2-4-6-5-3-1;1-2-3;1-7(2,3,4,5)6;/h3-11,13-14H,1-2H3;;1H3;;/q-1;;;-1;+2/t13-,14+;;;;/m0..../s1
InChIKey TXAFJXZBDSYYRF-CIGCOMLQSA-N
Literature Reference Author J.B.SORTAIS,V.RITLENG,A.VOELKLIN,A.HOLUIGUE,H.SMAIL,L.BARLOY ,C.SIRLIN,G.K.M.VERZ
Literature Reference Citation ORG.LETTERS,7,1247(2005)
Literature Reference DOI 10.1021/ol047353d
Molecular Weight 584.306 g/mol
Sample ID 62252
Solvent CD3CN