Sample Description:

Molecular Formula: C7H7N Molecular Weight: 105.137 InChI= 1/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2 IUPAC Name:  4-Vinylpyridine CAS Number: 100-43-6 PubChem: 7502 NMRShiftDB: 20027606 Spectrometer: Bruker ARX 400 MHz Solvent: CDCl3 Provided by:  WebSpectra: Intermediate (2) Problem #9

$> cat proton.ll
8.6753  .5
8.6715  .5
8.6633  .5
8.6602  .5

7.3527  .5
7.3488  .5
7.3405  .5
7.3375  .5

6.7740  .25
6.7469  .25
6.7300  .25
6.7029  .25

6.0726  .5
6.0287  .5

5.5788  .5
5.5516  .5
			

$> cat carbon.ll
149.5294
144.0284
134.1304
120.1344
116.0134
			

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: 0.989372 (    7502)    2: 0.984857 (   14272)    3: 0.972770 (    7521)
    4: 0.954694 (  428166)    5: 0.952664 ( 6451481)    6: 0.950822 (   66014)
    7: 0.925075 ( 5324684)    8: 0.917517 (  259360)    9: 0.852867 (  527526)
   10: 0.842779 (  143428)
			

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: 0.968592 (    7502)    2: 0.942067 ( 6492920)    3: 0.941036 (  571640)
    4: 0.939852 ( 5373967)    5: 0.939443 (  571639)    6: 0.936644 (  225703)
    7: 0.934184 (  327523)    8: 0.932659 (   23158)    9: 0.930688 (   62613)
   10: 0.930688 ( 6328717)
			

Comments:

The top structure is the correct one.