Sample Description:

Molecular Formula: C12H12N2O3 Molecular Weight: 232.235 InChI= 1/C12H12N2O3/c1-16-11-6-10(2-4-13-11)12(15)14-7-9-3-5-17-8-9/h2-6,8H,7H2,1H3, (H,14,15)/f/h14H IUPAC Name:  N-(3-Furylmethyl)-2-methoxyisonicotinamide Spectrometer: Bruker AV 400 MHz Solvent: DMSO-d6 Provided by:  Dr. Till Kühn, Bruker BioSpin

Directory	npF2	NS	swF2	spF2	npF1	swF1	spF1	time
proton (1)	32768	16	8278.146	-1674.091				1 m 19 s
carbon (3)	32768	34	25125.628	-532.234				2 m 20 s

1D Proton Spectrum:

1D Carbon Spectrum (Deuterated Solvent Resonances Subtracted):

 # C   SHIFT[ppm]+/-Err     INTEGRAL+/-Err  RELAXATION[s]+/-Err PHASE[rad]+/-Err
 -------------------------------------------------------------------------------
   1  164.1871  0.00050     0.423   0.0803    1.03414  0.391620    2.124  0.1439
   2  164.1048  0.00053     0.367   0.0794    1.07769  0.488958    2.124  0.1439
   3  151.7908  0.00054     0.392   0.0749    1.29385  0.564551    2.064  0.1914
   4  147.6331  0.00030     1.419   0.0993    0.56096  0.060087    2.054  0.0700
   5  144.3174  0.00058     0.455   0.0838    0.95119  0.331007    2.137  0.1840
   6  142.2089  0.00025     1.135   0.0836    0.83030  0.108337    2.240  0.0736
   7  114.7371  0.00032     1.265   0.0974    0.60633  0.072575    2.212  0.0769
   8  110.5156  0.00027     1.448   0.1017    0.67893  0.076599    2.225  0.0701
   9  108.4690  0.00030     1.342   0.0991    0.60923  0.068948    2.120  0.0731
  10  107.1636  0.00023     1.219   0.0850    0.90612  0.114675    2.148  0.0696
  11   53.5760  0.00029     1.327   0.0979    0.63535  0.074545    2.123  0.0738
  12   36.0801  0.00065     1.858   0.1650    0.30833  0.038559    2.190  0.0887
				

Automated VerifyIt Proton Assignments:

Automated VerifyIt Carbon Assignments:

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

The correct structure is at position 7.

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.927903 ( 2590023)    2: 0.926324 ( 2973092)    3: 0.926103 (11425660)
    4: 0.925098 ( 2145348)    5: 0.924944 ( 8003043)    6: 0.924243 ( 3162230)
    7: 0.922773 (      U3)    8: 0.922721 ( 5323872)    9: 0.922519 (  736352)
   10: 0.922408 ( 7293076)
			

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

The correct structure is at position 2.

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.933601 ( 5323872)    2: 0.876175 (      U3)    3: 0.875232 ( 3819220)
    4: 0.873840 ( 7638085)    5: 0.872686 ( 7640458)    6: 0.865108 (10149561)
    7: 0.861220 ( 7990403)    8: 0.859242 ( 3608061)    9: 0.855703 ( 9220358)
   10: 0.855174 (  623704)