Sample Description:
 | | Molecular Formula: C7H9N
Molecular Weight: 107.153
| InChI= |
1/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
|
| IUPAC Name: |
Phenylmethanamine
|
CAS Number: 100-46-9
PubChem: 7504
NMRShiftDB: 10005704
Spectrometer: 300 MHz
Solvent: CDCl3
|
| *.fid | np | nt | sw | rfp-rfl | ni | sw1 | rfp1-rfl1 | time |
 |
| proton | 8192 | 8 | 6024.11 | -1664.409 | | | | ? |
| carbon | 8192 | 168 | 20000.00 | -2115.066 | | | | ? |
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: 0.978123 ( 7504) 2: 0.926108 ( 7242) 3: 0.921714 ( 7813)
4: 0.917952 ( 572231) 5: 0.917846 ( 7934) 6: 0.907287 (11363173)
7: 0.905413 (10374423) 8: 0.905330 (10876707) 9: 0.901599 (10898669)
10: 0.897794 ( 5246386)
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: 0.975644 ( 7504) 2: 0.969342 ( 3739843) 3: 0.956605 ( 224257)
4: 0.955221 ( 6332056) 5: 0.939619 ( 1550364) 6: 0.934376 (10584770)
7: 0.933275 ( 2734311) 8: 0.931976 ( 66036) 9: 0.929366 ( 2320641)
10: 0.929096 ( 6379793)
Comments:
FindIt identifies the correct structure at its top position.
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