Pyridine_b
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C5H5N
Molecular Weight: 79.100
InChI= 1/C5H5N/c1-2-4-6-5-3-1/h1-5H
IUPAC Name:  Pyridine
CAS Number: 110-86-1
PubChem: 1049
NMRShiftDB: 10017437
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton1638486024.11-1665.794?
carbon163844820000.00-2116.978?


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 6 FindIt Molecular Structures Consistent With Molecular Formula and Proton Resonances:

The correct structure is at position 1. (Only 6 structures are consistent with the molecular formula.)

FindIt Structures

 Best 6 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.974124 (    1049)    2: 0.854239 (   74170)    3: 0.849204 ( 5385799)
    4: 0.688057 (  145078)    5: 0.617810 (  140560)    6: 0.610758 (  140155)
			

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: 0.968468 (    1049)    2: 0.928761 ( 2734379)    3: 0.928354 ( 4737240)
    4: 0.915832 ( 3391847)    5: 0.904941 ( 4830571)    6: 0.903939 ( 9548819)
    7: 0.903529 ( 6912535)    8: 0.898678 (10976357)    9: 0.896526 (11832892)
   10: 0.895005 ( 2849444)
			

Comments:

NMRanalyst references each carbon spectrum to its contained locking solvent resonances. The proton spectrum had no discernable reference signal and its original referencing was maintained. FindIt identifies the correct structure at its top place.


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