[shafaifer]

Given only ¹H, ¹³C, DEPT, COSY and HETCOR spectres and the fact that the unknown molecule contains only C, H and O, is there a way anyone can determine that an unkown molecule is 2,5-dimethylphenol and not 3,4-dimethylphenol? I have been thinking of this for two hours and the only way I can think of at the moment to proof the matter is to calculate the chemical shifts for both molecules and compare them to the values which can be read from the spectres. I hope I have given you sufficiently detailed information so that you can help to find another way to verify the correct molecule (if there is another way).

Best regards,

Shafaifer

[phth]

I think that you are over thinking the problem.  Look at the splitting pattern in the 1H NMR.  That will tell you the answer.

[shafaifer]

T