2-Butanol
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C4H10O
Molecular Weight: 74.122
InChI= 1/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
IUPAC Name:  Butan-2-ol
CAS Number: 78-92-2
PubChem: 6568
NMRShiftDB: 10008032
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton819286024.11-1645.05?
carbon81928820000.00-2106.559?


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

The correct structure is at position 1. (Only 7 structures are consistent with the molecular formula.)

FindIt Structures

 Best 7 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.986414 (    6568)    2: 0.979264 (    6560)    3: 0.954015 (    6386)
    4: 0.945799 (    3283)    5: 0.933636 (     263)    6: 0.922760 (   11182)
    7: 0.922312 (   11721)
			

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: 0.981429 (    6568)    2: 0.951156 (  237877)    3: 0.928412 (   82754)
    4: 0.922401 (10487416)    5: 0.918506 (  123148)    6: 0.915099 (   36561)
    7: 0.913295 (  605693)    8: 0.911640 (  102452)    9: 0.909537 (    8909)
   10: 0.908839 (  305952)
			

Comments:

FindIt obtains the top place for the correct structure.


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