(2E)-1-(2-Naphthyl)acetone
(2,4-dinitrophenyl)hydrazone

NMRanalyst Sample Application
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Sample Description:

 Molecular Formula: C19H16N4O4
Molecular Weight: 364.355
InChI= 1/C19H16N4O4/c1-13(10-14-6-7-15-4-2-3-5-16(15)11-14)20-21-18-9-8-
17(22(24)25)12-19(18)23(26)27/h2-9,11-12,21H,10H2,1H3/b20-13+
IUPAC Name:  (2E)-1-(2-Naphthyl)acetone (2,4-dinitrophenyl)hydrazone
Spectrometer: Bruker 300 MHz
Solvent: CDCl3
Sample Concentration: 54.4 mg
Provided by:  Prof. Charles G. Fry, University of Wisconsin - Madison, Fall 2002.

DirectorynpF2NSswF2spF2npF1swF1spF1time
proton16384166024.096-1229.7231 m
carbon3276819220833.334-2112.95314 m 38 s
DEPT-1353276819220833.334-2112.95311 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: 0.968732 (     U13)    2: 0.965188 ( 5142967)    3: 0.962933 ( 1113690)
    4: 0.961509 ( 7676971)    5: 0.961033 ( 9382410)    6: 0.960334 ( 9145296)
    7: 0.958497 ( 6219508)    8: 0.958408 ( 8399064)    9: 0.958094 ( 4098818)
   10: 0.957238 ( 1916989)
			

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: 0.937890 (     U13)    2: 0.919698 ( 3855711)    3: 0.917531 ( 3731004)
    4: 0.907899 ( 4004217)    5: 0.907112 (11956320)    6: 0.905428 ( 4663439)
    7: 0.904666 ( 9795919)    8: 0.903683 ( 8159360)    9: 0.902695 (10407769)
   10: 0.902591 ( 3699097)
			

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: 0.945264 (     U13)    2: 0.938795 ( 7225810)    3: 0.937300 ( 7456939)
    4: 0.935845 ( 7948744)    5: 0.935285 ( 7793124)    6: 0.934235 ( 9089368)
    7: 0.934047 ( 7534048)    8: 0.933313 ( 7402918)    9: 0.932614 ( 9236354)
   10: 0.932166 ( 3506625)
			

Comments:

The correct structure is identified at FindIt place one.


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