Sample Description:
 | | Molecular Formula: C5H10O
Molecular Weight: 86.132
| InChI= |
1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
|
CAS Number: 107-87-9
PubChem: 7895
NMRShiftDB: 10016750
Spectrometer: 300 MHz
Solvent: CDCl3
|
| *.fid | np | nt | sw | rfp-rfl | ni | sw1 | rfp1-rfl1 | time |
 |
| proton | 8192 | 8 | 6024.11 | -1664.953 | | | | ? |
| carbon | 8192 | 328 | 20000.00 | -2106.580 | | | | ? |
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: 0.977229 ( 7895) 2: 0.967948 ( 5463824) 3: 0.956855 ( 520554)
4: 0.954774 ( 121763) 5: 0.952658 ( 7288) 6: 0.952258 ( 102618)
7: 0.936080 ( 11251) 8: 0.928275 ( 6440261) 9: 0.925494 ( 5366266)
10: 0.925494 ( 6433417)
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: 0.957788 ( 7895) 2: 0.920553 ( 554953) 3: 0.914455 ( 529635)
4: 0.900277 ( 6374558) 5: 0.892382 ( 182195) 6: 0.889806 ( 342962)
7: 0.888462 ( 61656) 8: 0.887752 (11079751) 9: 0.886863 ( 9833982)
10: 0.884590 ( 141565)
Comments:
The top FindIt structure is the correct one.
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