Diethylamine
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C4H11N
Molecular Weight: 73.137
InChI= 1/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3
IUPAC Name:  N-ethylethanamine
CAS Number: 109-89-7
PubChem: 8021
NMRShiftDB: 7993
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton1638486024.11-1628.869?
carbon163844820000.00-2108.851?


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

The correct structure is at position 1. (Only 8 structures are consistent with the molecular formula.)

FindIt Structures

 Best 8 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.993185 (    8021)    2: 0.990124 (   24874)    3: 0.988078 (    6558)
    4: 0.982322 (   12315)    5: 0.974441 (   78485)    6: 0.940606 (    8007)
    7: 0.936886 (   11723)    8: 0.933319 (    6385)
			

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: 0.982847 (    8021)    2: 0.977178 ( 9793784)    3: 0.975577 (   75292)
    4: 0.965743 ( 5364078)    5: 0.951981 ( 2785390)    6: 0.951624 (  130553)
    7: 0.950107 (  138168)    8: 0.948682 (  118519)    9: 0.945955 (   29061)
   10: 0.945401 ( 4193597)
			

Comments:

FindIt obtains the correct structure at its top place.


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