Sample Description:
 | | Molecular Formula: C13H10O
Molecular Weight: 182.218
| InChI= |
1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
|
| IUPAC Name: |
Diphenyl ketone
|
CAS Number: 119-61-9
PubChem: 3102
NMRShiftDB: 10005796
Spectrometer: 300 MHz
Solvent: CDCl3
Sample Concentration: 50 mg in 0.5 ml
|
| *.fid | np | nt | sw | rfp-rfl | ni | sw1 | rfp1-rfl1 | time |
 |
| proton | 8192 | 8 | 6024.11 | -1661.068 | | | | ? |
| carbon | 8192 | 88 | 20000.00 | -2108.608 | | | | ? |
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: 0.988566 ( 3102) 2: 0.979147 ( 74318) 3: 0.961307 ( 602461)
4: 0.957534 ( 5374806) 5: 0.957023 ( 6537068) 6: 0.955755 ( 121053)
7: 0.955583 ( 5374807) 8: 0.955560 ( 76689) 9: 0.954436 ( 121052)
10: 0.951789 ( 3799)
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: 0.981176 ( 3102) 2: 0.971299 ( 3911804) 3: 0.965147 ( 3374939)
4: 0.962734 ( 8651) 5: 0.958673 ( 72868) 6: 0.957370 ( 327766)
7: 0.954278 ( 7034) 8: 0.952471 ( 1549289) 9: 0.945375 ( 18946)
10: 0.942075 ( 901725)
Comments:
The acquired 8k spectral points were zerofilled to 10,000 for the proton and 20,000 for the carbon spectrum. The top
FindIt structure is the correct one.
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