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
|
| *.fid | np | nt | sw | rfp-rfl | ni | sw1 | rfp1-rfl1 | time |
 |
| proton | 16384 | 8 | 6024.11 | -1665.223 | | | | ? |
| carbon | 16384 | 208 | 20000.00 | -2109.048 | | | | ? |
1D Proton Spectrum:
1D Carbon Spectrum
(Deuterated Solvent Resonances Subtracted):
| |
Automated VerifyIt Proton Assignments:
 | |
Automated VerifyIt Carbon Assignments:
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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: 0.971055 ( 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.
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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