Benzylamine
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C7H9N
Molecular Weight: 107.153
InChI= 1/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
IUPAC Name:  Phenylmethanamine
CAS Number: 100-46-9
PubChem: 7504
NMRShiftDB: 10005704
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton819286024.11-1664.409?
carbon819216820000.00-2115.066?


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: 0.978123 (    7504)    2: 0.926108 (    7242)    3: 0.921714 (    7813)
    4: 0.917952 (  572231)    5: 0.917846 (    7934)    6: 0.907287 (11363173)
    7: 0.905413 (10374423)    8: 0.905330 (10876707)    9: 0.901599 (10898669)
   10: 0.897794 ( 5246386)
			

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: 0.975644 (    7504)    2: 0.969342 ( 3739843)    3: 0.956605 (  224257)
    4: 0.955221 ( 6332056)    5: 0.939619 ( 1550364)    6: 0.934376 (10584770)
    7: 0.933275 ( 2734311)    8: 0.931976 (   66036)    9: 0.929366 ( 2320641)
   10: 0.929096 ( 6379793)
			

Comments:

FindIt identifies the correct structure at its top position.


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