L-Borneol
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C10H18O
Molecular Weight: 154.249
InChI= 1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7?,8-,10-/m1/s1
IUPAC Name:  (1R,4R,6R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
CAS Number: 464-45-9
PubChem: 10049
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton819286024.11-1664.862?
carbon819212820000.00-2106.192?


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: 0.985138 (   10049)    2: 0.984082 (  557731)    3: 0.983350 (  527259)
    4: 0.982762 (   10550)    5: 0.982737 (  376008)    6: 0.982416 (  101754)
    7: 0.981807 (  536562)    8: 0.981073 (   86056)    9: 0.980826 (  564727)
   10: 0.979700 (   15406)
			

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: 0.971502 (   10049)    2: 0.940037 (  194197)    3: 0.933257 (  343146)
    4: 0.932876 ( 1268147)    5: 0.923800 (   86798)    6: 0.913572 ( 3081571)
    7: 0.908462 (  418445)    8: 0.907789 (  349298)    9: 0.907357 ( 3439428)
   10: 0.903037 ( 3086549)
			

Comments:

L-Borneol is contained in food and cosmetics. Its LD50 for oral admission in rats is 5.8 g/kg. FindIt identifies the correct structure at its top position.


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