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Use of 13 C isotope shifts to assign carbon atoms α and β (and para ) to a hydroxy group in alkyl substituted phenols and alcohols
Author(s) -
Newmark Richard A.,
Hill James R.
Publication year - 1980
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270130109
Subject(s) - phenols , chemistry , substituent , alkyl , carbon fibers , medicinal chemistry , isotope , isotopes of carbon , group (periodic table) , kinetic isotope effect , phenol , organic chemistry , deuterium , materials science , total organic carbon , physics , quantum mechanics , composite number , composite material
Doublets can be observed for carbons α and β to the hydroxyl in aliphatic alcohols containing equimolar amounts of OH and OD dissolved in (CH 3 ) 2 SO containing CaSO 4 desiccant. Isotopic doublets are also observed for the ipso and ortho carbons in alkyl substituted phenols. Para isotopic doublets are observable in para ‐substituted phenols containing a large 2‐substituent. The isotope shift is positive (low field) for the para carbon, opposite to the negative shifts usually observed.