sec-Butylamine
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C4H11N
Molecular Weight: 73.137
InChI= 1/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
IUPAC Name:  Butan-2-amine
CAS Number: 513-49-5
PubChem: 24874
NMRShiftDB: 20096838
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton1638486024.11-1635.188?
carbon1638412820000.00-2108.679?


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: 0.986001 (   24874)    2: 0.983005 (    6558)    3: 0.976606 (    6385)
    4: 0.958029 (    8021)    5: 0.957109 (   12315)    6: 0.943578 (   78485)
    7: 0.933551 (    8007)    8: 0.919979 (   11723)
			

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: 0.980612 (   24874)    2: 0.938692 (  560605)    3: 0.936106 ( 7010293)
    4: 0.932510 (   74454)    5: 0.929245 (   24873)    6: 0.923810 (  517667)
    7: 0.922057 (   78618)    8: 0.921204 ( 5326264)    9: 0.920606 ( 6993592)
   10: 0.920574 (11658386)
			

Comments:

FindIt obtains the correct structure at its top place.


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