Cyclopentanone_b
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C5H8O
Molecular Weight: 84.116
InChI= 1/C5H8O/c6-5-3-1-2-4-5/h1-4H2
IUPAC Name:  Cyclopentanone
CAS Number: 120-92-3
PubChem: 8452
NMRShiftDB: 10005715
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton819286024.11-1664.590?
carbon819255220000.00-2116.089?


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: 0.989285 (    8452)    2: 0.983669 (   18569)    3: 0.982105 (  529197)
    4: 0.961845 (11542769)    5: 0.957935 (   79346)    6: 0.949687 (    9244)
    7: 0.946852 (11040624)    8: 0.944631 (   92915)    9: 0.936054 (10866258)
   10: 0.935571 (   92981)
			

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: 0.983370 (    8452)    2: 0.914410 (  139109)    3: 0.885103 (10796721)
    4: 0.879973 (   11271)    5: 0.868380 (  103526)    6: 0.864232 (  274405)
    7: 0.862346 (  123149)    8: 0.848853 (  536187)    9: 0.844422 (   13152)
   10: 0.843872 (  548001)
			

Comments:

The top FindIt structure is the correct one.


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