2-Pentanol
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C5H12O
Molecular Weight: 88.148
InChI= 1/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
IUPAC Name:  Pentan-2-ol
CAS Number: 6032-29-7
PubChem: 22386
NMRShiftDB: 20096922
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton1638486024.11-1646.759?
carbon163848820000.00-2106.101?


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: 0.958239 (   22386)    2: 0.954282 (   31260)    3: 0.951006 (   11428)
    4: 0.950839 (    8723)    5: 0.933935 (    6405)    6: 0.931376 (   11732)
    7: 0.927550 (    6404)    8: 0.927001 (   12340)    9: 0.918402 (   12256)
   10: 0.917752 (   12338)
			

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: 0.956128 (   22386)    2: 0.932061 ( 9899004)    3: 0.925852 ( 6421047)
    4: 0.917593 (   44803)    5: 0.917358 (  537746)    6: 0.916011 (10376418)
    7: 0.915233 (10511782)    8: 0.910162 (  237878)    9: 0.908533 (  237880)
   10: 0.908283 (  520135)
			

Comments:

The top FindIt structure is the correct one.


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