p-Toluidine
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C7H9N
Molecular Weight: 107.153
InChI= 1/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
IUPAC Name:  4-Methylaniline
CAS Number: 106-49-0
PubChem: 7813
NMRShiftDB: 20035463
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton819286024.11-1676.279?
carbon819236820000.00-2113.253?


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: 0.981969 (    7813)    2: 0.978846 (    7242)    3: 0.975693 (    7934)
    4: 0.963135 (  572231)    5: 0.959914 (    7515)    6: 0.944363 (10876707)
    7: 0.938639 (11363173)    8: 0.936513 (10351663)    9: 0.934606 ( 4204813)
   10: 0.931740 (10374423)
			

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: 0.975475 (    7813)    2: 0.949605 (11601074)    3: 0.948141 (10313432)
    4: 0.948042 ( 4232379)    5: 0.931719 (   69333)    6: 0.921226 (   66038)
    7: 0.914476 ( 3433880)    8: 0.908379 ( 3681164)    9: 0.905102 (  516985)
   10: 0.903695 ( 4283257)
			

Comments:

FindIt identifies the correct structure at its top position.


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