IMPORTANT PLEASE READ: Predicting NMR in Chembiodraw is a nice learning tool, but can (sometimes

only get you so far. Check out the
CNMR predicted for the problem of the Day 17; it looks perfect (8
unique C’s, similar numbers means they are equivalent). However, the
HNMR predicted (see page 2)
shows the same proton shifts for 4 hydrogens on the ring (all of the ones off the Carbons-128.5-
predicted and 128.6-ppm-predicted show on this page). I had to switch the proton off of the Carbon
123.1-ppm-predicted shown on this page with a chloride to more properly show the number of unique
hydrogens on this molecule (see page 3).

Page 2:
Chemdraw is not perfect! Predicts 7.24 for 4 H’s. In reality, they are just really close and round off to
7.24. Don’t mistakenly think there are 5 unique H’s… (THERE ARE 6 unique H’s). See page 3 to see what
is really equivalent on the ring.

Page 3:
Should be 6 unique protons (consider the position with chloride we are looking at is actually hydrogen;
5+1 = 6). I switched in chloride to show a bigger difference in between the protons in the ring. Even if
something is really close measurement-wise, use the rules of symmetry and replacing protons to
determine what is really equivalent or not on the test.

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