Sample Description:
 | | Molecular Formula: C7H8O
Molecular Weight: 108.138
| InChI= |
1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
|
| IUPAC Name: |
Phenylmethanol
|
CAS Number: 100-51-6
PubChem: 244
NMRShiftDB: 10005706
Spectrometer: 300 MHz
Solvent: CDCl3
|
| *.fid | np | nt | sw | rfp-rfl | ni | sw1 | rfp1-rfl1 | time |
 |
| proton | 8192 | 8 | 6024.11 | -1659.12 | | | | ? |
| carbon | 8192 | 48 | 20000.00 | -2115.682 | | | | ? |
1D Proton Spectrum:
1D Carbon Spectrum
(Deuterated Solvent Resonances Subtracted):
| |
Automated VerifyIt Proton Assignments:
 | |
Automated VerifyIt Carbon Assignments:
 |
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: 0.970165 ( 244) 2: 0.919417 ( 5367505) 3: 0.909845 (10999257)
4: 0.902957 ( 7519) 5: 0.891832 ( 530402) 6: 0.886731 (10996982)
7: 0.880103 ( 335) 8: 0.874193 ( 2879) 9: 0.873109 ( 13200)
10: 0.873005 ( 342)
Top
10
FindIt Molecular
Structures
Consistent With
Proton and Carbon
Resonances:
The correct structure is at position
2.
Best 10 structures in decreasing rating (structure ID shown in parentheses):
1: 0.965378 ( 110695) 2: 0.963822 ( 244) 3: 0.962715 ( 6384021)
4: 0.962535 ( 6384020) 5: 0.961894 ( 9990000) 6: 0.960114 ( 6398848)
7: 0.953028 ( 120172) 8: 0.944418 ( 611786) 9: 0.934344 ( 14857)
10: 0.933932 ( 5276528)
Comments:
FindIt identifies the correct structure at its top position for molecular formula and proton results.
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