4-Ethylphenol
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C8H10O
Molecular Weight: 122.164
InChI= 1/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
IUPAC Name:  4-Ethylphenol
CAS Number: 123-07-9
PubChem: 31242
NMRShiftDB: 10008890
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton1638486024.11-1665.223?
carbon1638420820000.00-2109.048?


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: 0.971055 (   31242)    2: 0.969398 (   12101)    3: 0.968483 (    6997)
    4: 0.946398 (11137159)    5: 0.942602 (11116048)    6: 0.939304 (10997154)
    7: 0.930949 (   11476)    8: 0.928809 (   11505)    9: 0.926852 (    6994)
   10: 0.926093 (    7409)
			

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: 0.960377 (   31242)    2: 0.957481 (10261156)    3: 0.918512 (11042423)
    4: 0.913218 (   11504)    5: 0.912589 ( 1269945)    6: 0.910993 (  578421)
    7: 0.909371 (  146173)    8: 0.908692 (10511248)    9: 0.908331 (  437535)
   10: 0.899773 ( 9547998)
			

Comments:

FindIt identifies the correct structure at its top position.


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