Sample Description:

Molecular Formula: C7H8O2 Molecular Weight: 124.137 InChI= 1/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3 IUPAC Name:  3-Methoxyphenol CAS Number: 150-19-6 PubChem: 9007 NMRShiftDB: 10008661 Spectrometer: Bruker ARX 400 MHz Solvent: CDCl3 Provided by:  WebSpectra: Beginning Problem #5

$> cat proton.ll
7.2585  0.01
7.1594  0.25
7.1388  0.5
7.1192  0.25
6.5263  0.25
6.5206  0.25
6.5070  0.25
6.5043  0.25
6.5019  0.25
6.4994  0.25
6.4627  0.25
6.4617  0.25
6.4569  0.25
6.4380  0.25
6.4327  0.25
6.4271  0.25
5.5733  1.0
3.7783  3.0
			

$> cat carbon.ll
160.851
156.715
130.252
107.975
106.517
101.627
55.3493
			

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: 0.994164 (    9007)    2: 0.988893 (     460)    3: 0.986687 (    9015)
    4: 0.940039 (   11843)    5: 0.939679 (   10333)    6: 0.937303 (    9958)
    7: 0.937106 ( 3621402)    8: 0.936311 (    7253)    9: 0.930372 (  244179)
   10: 0.929060 (     340)
			

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: 0.943191 (    9007)    2: 0.932994 (   10824)    3: 0.930615 ( 6338915)
    4: 0.924390 (  261016)    5: 0.915438 (  103339)    6: 0.914808 (  285064)
    7: 0.913681 (  618483)    8: 0.910709 (   82508)    9: 0.910498 (  108589)
   10: 0.910384 (  402151)
			

Comments:

The best FindIt structure is the correct one.