Benzyl Alcohol
NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C7H8O
Molecular Weight: 108.138
InChI= 1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
IUPAC Name:  Phenylmethanol
CAS Number: 100-51-6
PubChem: 244
NMRShiftDB: 10005706
Spectrometer: 300 MHz
Solvent: CDCl3
Provided by:  FTNMR FID Archive - Pacific Lutheran University

*.fidnpntswrfp-rflnisw1rfp1-rfl1time
proton819286024.11-1659.12?
carbon81924820000.00-2115.682?


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: 0.970165 (     244)    2: 0.919417 ( 5367505)    3: 0.909845 (10999257)
    4: 0.902957 (    7519)    5: 0.891832 (  530402)    6: 0.886731 (10996982)
    7: 0.880103 (     335)    8: 0.874193 (    2879)    9: 0.873109 (   13200)
   10: 0.873005 (     342)
			

Top 10 FindIt Molecular Structures Consistent With Proton and Carbon Resonances:

The correct structure is at position 2.

FindIt Structures

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.965378 (  110695)    2: 0.963822 (     244)    3: 0.962715 ( 6384021)
    4: 0.962535 ( 6384020)    5: 0.961894 ( 9990000)    6: 0.960114 ( 6398848)
    7: 0.953028 (  120172)    8: 0.944418 (  611786)    9: 0.934344 (   14857)
   10: 0.933932 ( 5276528)
			

Comments:

FindIt identifies the correct structure at its top position for molecular formula and proton results.


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