Sample Description:

Molecular Formula: C13H17NO2 Molecular Weight: 219.290 InChI= 1/C13H17NO2/c1-9-11-3-2-5-14(11)12(7-13(9)15)10-4-6-16-8-10/h4,6,8-9,11-12H,2-3,5,7H2,1H3 IUPAC Name:  5-(3-Furyl)-8-methylhexahydroindolizin-7(1H)-one PubChem: 11608231 Spectrometer: Bruker DRX 600 MHz Solvent: CDCl3 Provided by:  Institut Organische Chemie, Universitaet Mainz (inhouse database)

Directory	npF2	NS	swF2	spF2	npF1	swF1	spF1	time
proton	16384	16	9615.385	-1828.998				59 s
carbon	32768	3993	36231.884	-2178.887				1 h 53 m

1D Proton Spectrum:

1D Carbon Spectrum (Deuterated Solvent Resonances Subtracted):

 # C   SHIFT[ppm]+/-Err     INTEGRAL+/-Err  RELAXATION[s]+/-Err PHASE[rad]+/-Err
 -------------------------------------------------------------------------------
   1  209.6435  0.00045     2.266   0.0924    0.13488  0.007709    1.271  0.0408
   2  143.3899  0.00005     4.290   0.0596    0.46613  0.010485    1.108  0.0139
   3  139.4453  0.00006     4.070   0.0615    0.37571  0.008492    1.110  0.0151
   4  126.6004  0.00051     2.114   0.0934    0.12850  0.007972    1.075  0.0442
   5  108.8892  0.00003     4.149   0.0491    0.79019  0.019019    0.997  0.0118
   6   70.3433  0.00004     4.094   0.0548    0.69792  0.018564    0.894  0.0135
   7   57.8573  0.00008     4.545   0.0869    0.39337  0.011655    0.740  0.0192
   8   52.0586  0.00004     4.668   0.0506    0.49940  0.009074    0.804  0.0109
   9   50.2978  0.00012     4.359   0.0714    0.20238  0.004657    0.797  0.0163
  10   48.4078  0.00012     4.585   0.0700    0.19735  0.004248    0.791  0.0153
  11   30.3439  0.00016     4.150   0.1500    0.34906  0.018815    0.765  0.0361
  12   21.3149  0.00004     4.422   0.0523    0.57411  0.012072    0.721  0.0118
  13   10.4826  0.00003     4.649   0.0452    0.58747  0.010167    0.660  0.0097
				

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 6.

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.950661 (  229301)    2: 0.950163 (  599881)    3: 0.949431 ( 7016538)
    4: 0.948940 ( 7145410)    5: 0.948903 ( 1234652)    6: 0.948605 (      U6)
    7: 0.948562 ( 7145418)    8: 0.948256 ( 2761862)    9: 0.948048 ( 2760640)
   10: 0.947765 ( 2761854)
			

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

The correct structure is at position 1.

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.867179 (      U6)    2: 0.852208 ( 1205553)    3: 0.846046 ( 1899797)
    4: 0.841850 ( 4792863)    5: 0.835793 (  216998)    6: 0.833742 (  423280)
    7: 0.833633 ( 3055071)    8: 0.833626 ( 2276373)    9: 0.832519 ( 5386918)
   10: 0.831766 ( 3033464)
			

Comments:

FindIt based on proton and carbon information identifies the correct structure.