m-Toluidine
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C7H9N
Molecular Weight: 107.153
InChI= 1/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3
IUPAC Name:  3-Methylaniline
CAS Number: 108-44-1
PubChem: 7934
NMRShiftDB: 20035462
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton819286024.11-1665.674?
carbon819212820000.00-2118.295?


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: 0.986430 (    7934)    2: 0.981360 (    7813)    3: 0.977533 (    7242)
    4: 0.968123 (  572231)    5: 0.962105 (    7515)    6: 0.948255 (10876707)
    7: 0.947759 (11363173)    8: 0.940303 ( 4204813)    9: 0.939595 (10351663)
   10: 0.930811 (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: 0.984044 (    7934)    2: 0.946752 ( 4555748)    3: 0.939627 (  411183)
    4: 0.939477 (  196988)    5: 0.936673 (  261014)    6: 0.936549 (11744915)
    7: 0.936170 (   68308)    8: 0.933258 (   76081)    9: 0.933209 (   76082)
   10: 0.932923 (    7264)
			

Comments:

FindIt identifies the correct structure at its top position.


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