Analysis of HETLOC data

From NMR Wiki

First, list couplings that need to be collected (chances are all observable couplings won't be needed).

HETLOC experiment has a limitation that it won't show couplings to carbon atoms (or other X-nuclei to which HETLOC experiment might be tuned) if they are not connected to a proton.

Then, open HETLOC spectrum, and for a given coupling between atoms C_x and H_y:

• draw a horizontal line at ω1 (usually vertical dimension) = δ(H_x) - i.e. chemical shift of C_x-attached proton.
• draw a vertical line at ω2 = δ(H_y)
• note the point of intersection of the two lines
• somewhere symmetric to that point along the vertical line there might be two peaks or groups of peaks (i.e. if they are observable)
• two (groups of) peaks will be offset in ω1 by ¹JC_xH_x and in ω2 -by the sought value of ⁿJC_xH_y

Related documents

Sensitivity- and Gradient- enhanced HETLOC