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MAJOR-ISOMER

View entire compound with spectra: 2 NMR

MAJOR-ISOMER
SpectraBase Compound ID KOGXO5tsRuT
InChI InChI=1S/C8H9N.C6.C2H3N.F6P.Rh/c1-7(9)8-5-3-2-4-6-8;1-2-4-6-5-3-1;1-2-3;1-7(2,3,4,5)6;/h2-5,7,9H,1H3;;1H3;;/q-1;;;-1;+2/t7-;;;;/m1..../s1
InChIKey WBRWQLMPXJNAPX-GITXNKFESA-N
Mol Weight 480.16 g/mol
Molecular Formula C16H12F6N2PRh
Exact Mass 479.969719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MJATkCVJ2z
Name MINOR-ISOMER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12F6N2PRh
InChI InChI=1S/C8H9N.C6.C2H3N.F6P.Rh/c1-7(9)8-5-3-2-4-6-8;1-2-4-6-5-3-1;1-2-3;1-7(2,3,4,5)6;/h2-5,7,9H,1H3;;1H3;;/q-1;;;-1;+2/t7-;;;;/m1..../s1
InChIKey WBRWQLMPXJNAPX-GITXNKFESA-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 480.154 g/mol
Sample ID 62251
Solvent CD3CN