Pyrrolidine
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C4H9N
Molecular Weight: 71.121
InChI= 1/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
IUPAC Name:  Pyrrolidine
CAS Number: 123-75-1
PubChem: 31268
NMRShiftDB: 10019915
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton819286024.11-1630.579?
carbon819231220000.00-2110.549?


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

The correct structure is at position 1.

FindIt Structures

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.946767 (   31268)    2: 0.939712 (   75645)    3: 0.894495 (  533460)
    4: 0.888892 (  138389)    5: 0.887488 (11240422)    6: 0.880776 (   76141)
    7: 0.875021 (  150876)    8: 0.872000 (11007812)    9: 0.870719 (  138743)
   10: 0.870456 (   75646)
			

Top 10 FindIt Molecular Structures Consistent With Proton and Carbon Resonances:

The correct structure is at position 2.

FindIt Structures

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.951757 ( 5248373)    2: 0.940760 (   31268)    3: 0.934210 (11422964)
    4: 0.931460 (  191871)    5: 0.928897 (11002398)    6: 0.928550 (  470778)
    7: 0.928550 ( 6398052)    8: 0.924249 ( 3009817)    9: 0.921683 (10659729)
   10: 0.920911 ( 4072412)
			

Comments:

FindIt obtains the correct structure at its top place for molecular formula and proton results.


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