Tributylamine
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C12H27N
Molecular Weight: 185.349
InChI= 1/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
IUPAC Name:  Tributylamine
CAS Number: 102-82-9
PubChem: 7622
NMRShiftDB: 10016923
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton1638486024.11-1653.549?
carbon163848820000.00-2103.947?


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: 0.987523 (    7622)    2: 0.985395 (  108563)    3: 0.985160 ( 3698089)
    4: 0.985110 (  526990)    5: 0.984620 (   94645)    6: 0.984287 (  219170)
    7: 0.981587 (  256486)    8: 0.981276 (  109373)    9: 0.973261 (   70711)
   10: 0.970876 (  109196)
			

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: 0.976286 (    7622)    2: 0.962236 (  143726)    3: 0.958580 (  333902)
    4: 0.949310 (   83402)    5: 0.945034 (   75081)    6: 0.945034 ( 4404384)
    7: 0.945034 ( 6330214)    8: 0.934789 (   13834)    9: 0.933932 (   81031)
   10: 0.933619 (   77064)
			

Comments:

The top FindIt structure is the correct one.


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