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  4. Effect of Spectra Recording Conditions on the Example of Chemical Shifts Calculation in СMR Spectra of 1-Pentylbenzoylformate

Effect of Spectra Recording Conditions on the Example of Chemical Shifts Calculation in СMR Spectra of 1-Pentylbenzoylformate

JCCT.
2011;
Volume 5, Number 3
Authors: 

Volodymyr Mizyuk and Volodymyr Shibanov

The concept of “compatible” and “incompatible” CMR spectra has been introduced. Application of compatibility increments (IC) allows to calculate the chemical shifts of C2 and C3 atoms of pentyloxyl fragment in 1-pentylbenzoylformate with a sufficiently good accuracy.

CMR spectra
benzoates
benzoylformates
basic and differential spectral parameters
chemical shifts
additional increments
“compatible” and “incompatible” spectra.

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