7-Methoxy-2-methyl-9,10-
dihydrophenanthren-1-ol

NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C16H16O2
Molecular Weight: 240.297
InChI= 1/C16H16O2/c1-10-3-6-14-13-8-5-12(18-2)9-11(13)4-7-15(14)16(10)17/h3,5-6,8-
9,17H,4,7H2,1-2H3
IUPAC Name:  7-Methoxy-2-methyl-9,10-dihydrophenanthren-1-ol
PubChem: 5323700
NMRShiftDB: 75011
Spectrometer: Bruker 300 MHz
Solvent: CDCl3
Sample Concentration: 28.5 mg
Provided by:  Prof. Charles G. Fry, University of Wisconsin - Madison, Spring 2003.

DirectorynpF2NSswF2spF2npF1swF1spF1time
proton16384166024.096-1234.4001 m
carbon3276819220833.334-2112.07914 m 38 s
DEPT-1353276819220833.334-2112.07911 m 26 s


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: 0.966742 ( 5323700)    2: 0.953127 (  185320)    3: 0.951722 ( 5323705)
    4: 0.947039 ( 4247829)    5: 0.946146 ( 3795009)    6: 0.943371 ( 3780720)
    7: 0.935715 (   11097)    8: 0.933801 ( 5314304)    9: 0.931772 (  238191)
   10: 0.930140 (  299490)
			

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: 0.966060 ( 5323700)    2: 0.898013 ( 7584546)    3: 0.897295 ( 1210719)
    4: 0.896739 (  861715)    5: 0.896041 ( 5095050)    6: 0.894749 ( 1703767)
    7: 0.893681 ( 9076322)    8: 0.892695 ( 5845377)    9: 0.891474 ( 2236619)
   10: 0.890937 ( 9267356)
			

DEPT-135 Spectrum:

DEPT-135 Spectrum

Top 10 FindIt Molecular Structures Consistent With Proton and Protonated Carbon (DEPT-135) Resonances:

The correct structure is at position 1.

FindIt Structures

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.966043 ( 5323700)    2: 0.926344 ( 5802116)    3: 0.924778 ( 6282344)
    4: 0.924104 ( 5142107)    5: 0.922274 ( 7934020)    6: 0.915505 (  463642)
    7: 0.913396 (  340667)    8: 0.912504 ( 5830676)    9: 0.911688 ( 8157909)
   10: 0.911376 ( 3689630)
			

Comments:

FindIt identifies the correct structure in all the cases.


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