Sample Description:
 | | Molecular Formula: C5H12O
Molecular Weight: 88.148
| InChI= |
1/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
|
CAS Number: 6032-29-7
PubChem: 22386
NMRShiftDB: 20096922
Spectrometer: 300 MHz
Solvent: CDCl3
|
| *.fid | np | nt | sw | rfp-rfl | ni | sw1 | rfp1-rfl1 | time |
 |
| proton | 16384 | 8 | 6024.11 | -1646.759 | | | | ? |
| carbon | 16384 | 88 | 20000.00 | -2106.101 | | | | ? |
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: 0.958239 ( 22386) 2: 0.954282 ( 31260) 3: 0.951006 ( 11428)
4: 0.950839 ( 8723) 5: 0.933935 ( 6405) 6: 0.931376 ( 11732)
7: 0.927550 ( 6404) 8: 0.927001 ( 12340) 9: 0.918402 ( 12256)
10: 0.917752 ( 12338)
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: 0.956128 ( 22386) 2: 0.932061 ( 9899004) 3: 0.925852 ( 6421047)
4: 0.917593 ( 44803) 5: 0.917358 ( 537746) 6: 0.916011 (10376418)
7: 0.915233 (10511782) 8: 0.910162 ( 237878) 9: 0.908533 ( 237880)
10: 0.908283 ( 520135)
Comments:
The top FindIt structure is the correct one.
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