Premium
1 H NMR Chemical Shifts and Coupling Constants of Some 3‐Monosubstituted 2‐Methylpropenes
Author(s) -
Rittner Roberto,
Braibante Mara E. F.,
de Kowalewski Dora G.,
Pla Juan Carlos,
Mazzola Eugene P.
Publication year - 1997
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/(sici)1097-458x(199703)35:3<147::aid-omr35>3.0.co;2-k
Subject(s) - chemistry , chemical shift , coupling constant , allylic rearrangement , substituent , proton , proton nmr , lanthanide , spectral line , carbon 13 nmr , stereochemistry , crystallography , organic chemistry , catalysis , ion , physics , particle physics , quantum mechanics , astronomy
1 H NMR chemical shifts and proton–proton coupling constants for some 3‐substituted 2‐methylpropenes [YCH 2 C(Me)CH 2 , Y=H, Cl, Br, I, OH, OMe, OEt, SH, SMe, SEt, NMe 2 and NEt 2 ] are reported. Resonances of the olefinic protons were assigned through lanthanide‐induced shifts. Chemical shifts of the olefinic protons (H A and H B ) showed a dependence on the substituent at C‐3 of the allylic fragment. Long‐range allylic coupling constants ( 4 J cisoid for H A and CH 2 and H B and Me; 4 J transoid for H B and CH 2 and H A and Me) were determined by spectral expansion and simulation. © 1997 by John Wiley & Sons, Ltd.