2-Chlorobenzaldehyde
NMRanalyst Sample Application
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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
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton1638486024.11-1659.12?
carbon163848820000.00-2109.323?


1D Proton Spectrum:

1D Proton Spectrum


1D Carbon Spectrum (Deuterated Solvent Resonances Subtracted):

1D Carbon Spectrum


 

Automated VerifyIt Proton Assignments:

Proton Assignments
 

Automated VerifyIt Carbon Assignments:

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.)

FindIt Structures

 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.

FindIt Structures

 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.


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