Sample Description:
 | | Molecular Formula: C4H10O
Molecular Weight: 74.122
| InChI= |
1/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
|
CAS Number: 78-92-2
PubChem: 6568
NMRShiftDB: 10008032
Spectrometer: 300 MHz
Solvent: CDCl3
|
| *.fid | np | nt | sw | rfp-rfl | ni | sw1 | rfp1-rfl1 | time |
 |
| proton | 8192 | 8 | 6024.11 | -1645.05 | | | | ? |
| carbon | 8192 | 88 | 20000.00 | -2106.559 | | | | ? |
1D Proton Spectrum:
1D Carbon Spectrum
(Deuterated Solvent Resonances Subtracted):
| |
Automated VerifyIt Proton Assignments:
 | |
Automated VerifyIt Carbon Assignments:
 |
Top
7
FindIt Molecular
Structures
Consistent With
Molecular Formula and Proton Resonances:
The correct structure is at position
1.
(Only
7
structures are
consistent with the molecular formula.)
Best 7 structures in decreasing rating (structure ID shown in parentheses):
1: 0.986414 ( 6568) 2: 0.979264 ( 6560) 3: 0.954015 ( 6386)
4: 0.945799 ( 3283) 5: 0.933636 ( 263) 6: 0.922760 ( 11182)
7: 0.922312 ( 11721)
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: 0.981429 ( 6568) 2: 0.951156 ( 237877) 3: 0.928412 ( 82754)
4: 0.922401 (10487416) 5: 0.918506 ( 123148) 6: 0.915099 ( 36561)
7: 0.913295 ( 605693) 8: 0.911640 ( 102452) 9: 0.909537 ( 8909)
10: 0.908839 ( 305952)
Comments:
FindIt obtains the top place for the correct structure.
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