Propylamine
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C3H9N
Molecular Weight: 59.110
InChI= 1/C3H9N/c1-2-3-4/h2-4H2,1H3
IUPAC Name:  Propan-1-amine
CAS Number: 107-10-8
PubChem: 7852
NMRShiftDB: 10016921
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton819286024.11-1666.035?
carbon819212820000.00-2114.305?


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

The correct structure is at position 1. (Only 4 structures are consistent with the molecular formula.)

FindIt Structures

 Best 4 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.981486 (    7852)    2: 0.950018 (    6363)    3: 0.927934 (   12219)
    4: 0.876157 (    1146)
			

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: 0.966571 (    7852)    2: 0.947940 ( 3613965)    3: 0.941901 (11376381)
    4: 0.935829 ( 6994861)    5: 0.934388 ( 3483736)    6: 0.932078 ( 6332047)
    7: 0.929816 ( 3506354)    8: 0.920077 (   12358)    9: 0.917890 (  138608)
   10: 0.917414 (  281252)
			

Comments:

FindIt identifies the correct structure at its top place.


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