1H NMR Chemical Shifts and Coupling Constants of Some 3-Monosubstituted 2-Methylpropenes

Autor:	Roberto Rittner, Dora G. de Kowalewski, Mara Elisa Fortes Braibante, Juan Carlos Pla, Eugene P. Mazzola
Rok vydání:	1997
Předmět:	Coupling constant Allylic rearrangement chemistry.chemical_compound Crystallography Chemistry Stereochemistry Chemical shift Spectral expansion Substituent Proton NMR General Materials Science General Chemistry
Zdroj:	Magnetic Resonance in Chemistry. 35:147-152
ISSN:	1097-458X 0749-1581
DOI:	10.1002/(sici)1097-458x(199703)35:3<147::aid-omr35>3.0.co;2-k
Popis:	1H NMR chemical shifts and proton–proton coupling constants for some 3-substituted 2-methylpropenes [YCH2C(Me)CH2, Y=H, Cl, Br, I, OH, OMe, OEt, SH, SMe, SEt, NMe2 and NEt2] are reported. Resonances of the olefinic protons were assigned through lanthanide-induced shifts. Chemical shifts of the olefinic protons (HA and HB) showed a dependence on the substituent at C-3 of the allylic fragment. Long-range allylic coupling constants (4Jcisoid for HA and CH2 and HB and Me; 4Jtransoid for HB and CH2 and HA and Me) were determined by spectral expansion and simulation. © 1997 by John Wiley & Sons, Ltd.
Databáze:	OpenAIRE
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