1-Decanol
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C10H22O
Molecular Weight: 185.281
InChI= 1/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
IUPAC Name:  Decan-1-ol
CAS Number: 112-30-1
PubChem: 8174
NMRShiftDB: 10008918
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton1638486024.11-1654.03?
carbon1638412820000.00-2104.558?


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: 0.947012 (    8174)    2: 0.916657 (   14254)    3: 0.915167 (   16320)
    4: 0.913201 (  547839)    5: 0.913098 (   24847)    6: 0.913047 (   17703)
    7: 0.912805 ( 3028521)    8: 0.912585 (  520068)    9: 0.912467 (   76005)
   10: 0.912435 ( 5206198)
			

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: 0.978713 (    8174)    2: 0.978616 (    2682)    3: 0.978581 (  105198)
    4: 0.976839 (    8193)    5: 0.975950 (    8184)    6: 0.975117 (   12397)
    7: 0.970216 (10791252)    8: 0.969424 ( 3015949)    9: 0.968762 (   88422)
   10: 0.967477 (   15076)
			

Comments:

FindIt identifies the correct structure at the top position.


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