Benzophenone_b
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C13H10O
Molecular Weight: 182.218
InChI= 1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
IUPAC Name:  Diphenyl ketone
CAS Number: 119-61-9
PubChem: 3102
NMRShiftDB: 10005796
Spectrometer: 300 MHz
Solvent: CDCl3
Sample Concentration: 50 mg in 0.5 ml
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton819286024.11-1661.068?
carbon81928820000.00-2108.608?


1D Proton Spectrum:

1D Proton Spectrum


1D Carbon Spectrum (Deuterated Solvent Resonances Subtracted):

1D Carbon Spectrum


 

Automated VerifyIt Proton Assignments:

Proton Assignments
 

Automated VerifyIt Carbon Assignments:

Carbon Assignments

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

The correct structure is at position 1.

FindIt Structures

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.988566 (    3102)    2: 0.979147 (   74318)    3: 0.961307 (  602461)
    4: 0.957534 ( 5374806)    5: 0.957023 ( 6537068)    6: 0.955755 (  121053)
    7: 0.955583 ( 5374807)    8: 0.955560 (   76689)    9: 0.954436 (  121052)
   10: 0.951789 (    3799)
			

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

The correct structure is at position 1.

FindIt Structures

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.981176 (    3102)    2: 0.971299 ( 3911804)    3: 0.965147 ( 3374939)
    4: 0.962734 (    8651)    5: 0.958673 (   72868)    6: 0.957370 (  327766)
    7: 0.954278 (    7034)    8: 0.952471 ( 1549289)    9: 0.945375 (   18946)
   10: 0.942075 (  901725)
			

Comments:

The acquired 8k spectral points were zerofilled to 10,000 for the proton and 20,000 for the carbon spectrum. The top FindIt structure is the correct one.


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