Sample Description:
 | | Molecular Formula: C9H10O2
Molecular Weight: 150.174
| InChI= |
1/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
|
| IUPAC Name: |
1-(4-Methoxyphenyl)ethanone
|
CAS Number: 100-06-1
PubChem: 7476
NMRShiftDB: 10024793
Spectrometer: 300 MHz
Solvent: CDCl3
|
| *.fid | np | nt | sw | rfp-rfl | ni | sw1 | rfp1-rfl1 | time |
 |
| proton | 8192 | 8 | 6024.11 | -1664.922 | | | | ? |
| carbon | 8192 | 88 | 20000.00 | -2113.177 | | | | ? |
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: 0.980433 ( 7476) 2: 0.971946 ( 7455) 3: 0.971137 ( 68481)
4: 0.969414 ( 11460) 5: 0.967436 ( 7435) 6: 0.963288 ( 33094)
7: 0.952268 ( 15068) 8: 0.951512 ( 283285) 9: 0.947753 ( 265112)
10: 0.947648 ( 11892)
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: 0.973327 ( 7476) 2: 0.904947 ( 6430837) 3: 0.904845 ( 587660)
4: 0.885206 ( 3548931) 5: 0.884709 ( 2461195) 6: 0.875523 ( 2317803)
7: 0.873329 ( 301079) 8: 0.868998 ( 2064233) 9: 0.868870 ( 4713202)
10: 0.867286 ( 3034157)
Comments:
FindIt identifies the correct structure at the top position.
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