Sample Description:
 | | Molecular Formula: C7H5ClO
Molecular Weight: 140.567
| InChI= |
1/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H
|
| IUPAC Name: |
2-Chlorobenzaldehyde
|
CAS Number: 89-98-5
PubChem: 6996
NMRShiftDB: 10018673
Spectrometer: 300 MHz
Solvent: CDCl3
|
| *.fid | np | nt | sw | rfp-rfl | ni | sw1 | rfp1-rfl1 | time |
 |
| proton | 16384 | 8 | 6024.11 | -1659.12 | | | | ? |
| carbon | 16384 | 88 | 20000.00 | -2109.323 | | | | ? |
1D Proton Spectrum:
1D Carbon Spectrum
(Deuterated Solvent Resonances Subtracted):
| |
Automated VerifyIt Proton Assignments:
 | |
Automated VerifyIt Carbon Assignments:
 |
Top
5
FindIt Molecular
Structures
Consistent With
Molecular Formula and Proton Resonances:
The correct structure is at position
1.
(Only
5
structures are
consistent with the molecular formula.)
Best 5 structures in decreasing rating (structure ID shown in parentheses):
1: 0.958405 ( 6996) 2: 0.943832 ( 11477) 3: 0.943799 ( 7726)
4: 0.913801 ( 7412) 5: 0.871144 ( 19691)
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: 0.955391 ( 6996) 2: 0.943360 ( 57318) 3: 0.941864 ( 2763239)
4: 0.940103 (11378776) 5: 0.936600 (11000260) 6: 0.934346 ( 637554)
7: 0.931794 (11447873) 8: 0.929371 ( 3806952) 9: 0.929160 ( 81129)
10: 0.928924 ( 5470779)
Comments:
FindIt identifies the correct structure at its top position.
|