Sample Description:

Molecular Formula: C10H10O2 Molecular Weight: 162.185 InChI= 1/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+ IUPAC Name:  3-(2-Methoxyphenyl)propenal PubChem: 15173 NMRShiftDB: 10024801 Spectrometer: Bruker ARX 400 MHz Solvent: CDCl3 Provided by:  WebSpectra: Beginning Problem #10

$> cat proton.ll
9.6703  1
7.8321  0.5
7.7920  0.5
7.5247  0.5
7.5084  0.25
7.5055  0.25
7.4112  0.125
7.4076  0.125
7.3895  0.5
7.3719  0.125
7.3683  0.125
6.9917  0.4
6.9729  0.4
6.9540  0.4
6.9344  0.4
6.9135  0.4
6.7933  0.25
6.7736  0.25
6.7531  0.25
6.7335  0.25
3.8827  3
			

$> cat carbon.ll
194.452
158.166
148.135
132.603
128.900
128.740
122.796
120.736
111.175
55.4332
			

Automated VerifyIt Proton Assignments:

Automated VerifyIt Carbon Assignments:

Top 10 FindIt Molecular Structures Consistent With Molecular Formula and Proton Resonances:

The correct structure is at position 1.

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.993594 (   15173)    2: 0.990676 ( 6383906)    3: 0.989879 (  230995)
    4: 0.989426 ( 5373819)    5: 0.985590 (  643890)    6: 0.973067 (  291049)
    7: 0.969729 ( 5964532)    8: 0.965870 (    7644)    9: 0.965870 ( 6428458)
   10: 0.963950 ( 5385816)
			

Top 10 FindIt Molecular Structures Consistent With Proton and Carbon Resonances:

The correct structure is at position 1.

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.951066 (   15173)    2: 0.939887 ( 6211774)    3: 0.939332 ( 3348185)
    4: 0.930966 (  230995)    5: 0.928531 ( 5373819)    6: 0.923894 ( 7061901)
    7: 0.922968 ( 6380779)    8: 0.920408 ( 6813317)    9: 0.919237 (  472986)
   10: 0.918412 (  482734)
			

Comments:

The top FindIt structure is the correct one.