Sample Description:
 | | Molecular Formula: C4H11N
Molecular Weight: 73.137
| InChI= |
1/C4H11N/c1-2-3-4-5/h2-5H2,1H3
|
| IUPAC Name: |
Butan-1-amine
|
CAS Number: 109-73-9
PubChem: 8007
NMRShiftDB: 10008675
Spectrometer: 300 MHz
Solvent: CDCl3
|
| *.fid | np | nt | sw | rfp-rfl | ni | sw1 | rfp1-rfl1 | time |
 |
| proton | 16384 | 8 | 6024.11 | -1632.239 | | | | ? |
| carbon | 16384 | 88 | 20000.00 | -2109.933 | | | | ? |
1D Proton Spectrum:
1D Carbon Spectrum
(Deuterated Solvent Resonances Subtracted):
| |
Automated VerifyIt Proton Assignments:
 | |
Automated VerifyIt Carbon Assignments:
 |
Top
8
FindIt Molecular
Structures
Consistent With
Molecular Formula and Proton Resonances:
The correct structure is at position
1.
(Only
8
structures are
consistent with the molecular formula.)
Best 8 structures in decreasing rating (structure ID shown in parentheses):
1: 0.987523 ( 8007) 2: 0.957480 ( 24874) 3: 0.945707 ( 6558)
4: 0.939637 ( 6385) 5: 0.932876 ( 8021) 6: 0.931597 ( 12315)
7: 0.923274 ( 78485) 8: 0.904447 ( 11723)
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: 0.977875 ( 8007) 2: 0.952295 ( 3628384) 3: 0.949610 ( 246248)
4: 0.949290 ( 6367113) 5: 0.939691 ( 93502) 6: 0.935224 (11665932)
7: 0.931612 ( 5326286) 8: 0.930462 ( 6367114) 9: 0.930429 ( 19726)
10: 0.929866 ( 5326255)
Comments:
FindIt obtains the correct structure at its top place.
|