Sample Description:
 | | Molecular Formula: C8H8O2
Molecular Weight: 136.148
| InChI= |
1/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
|
| IUPAC Name: |
1-(4-Hydroxyphenyl)ethanone
|
CAS Number: 99-93-4
PubChem: 7469
NMRShiftDB: 10008663
Spectrometer: 300 MHz
Solvent: CDCl3
|
| *.fid | np | nt | sw | rfp-rfl | ni | sw1 | rfp1-rfl1 | time |
 |
| proton | 16384 | 8 | 6024.11 | -1658.119 | | | | ? |
| carbon | 16384 | 208 | 20000.00 | -2105.400 | | | | ? |
1D Proton Spectrum:
1D Carbon Spectrum
(Deuterated Solvent Resonances and TMS 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: 0.964249 ( 7469) 2: 0.962017 ( 7418) 3: 0.961857 ( 8375)
4: 0.959931 ( 8373) 5: 0.958137 ( 8487) 6: 0.957989 ( 522777)
7: 0.957939 ( 7470) 8: 0.956930 ( 61200) 9: 0.951721 ( 585182)
10: 0.951245 ( 585174)
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: 0.958817 ( 7469) 2: 0.919968 (10198275) 3: 0.912327 ( 7468)
4: 0.912301 (10535364) 5: 0.907534 ( 3716599) 6: 0.899583 ( 4684006)
7: 0.885983 ( 25323) 8: 0.881453 ( 737356) 9: 0.879367 ( 321739)
10: 0.877467 (10754174)
Comments:
FindIt identifies the correct structure at the top place.
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