Sample Description:

Molecular Formula: C12H23NOSSi Molecular Weight: 257.468 InChI= 1/C12H23NOSSi/c1-10-11(15-9-13-10)7-8-14-16(5,6)12(2,3)4/h9H,7-8H2,1-6H3 IUPAC Name:  5-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-4-methyl-thiazole PubChem: 643605 NMRShiftDB: 30001020 Spectrometer: Bruker AC 300 MHz Solvent: CDCl3 Provided by:  Institut Organische Chemie, Universitaet Mainz (inhouse database)

Directory	npF2	NS	swF2	spF2	npF1	swF1	spF1	time
proton	16384	32	6024.096	-1185.789				1 m 59 s
carbon	16384	6600	18518.518	-1858.071				58 m 4 s

1D Proton Spectrum:

1D Carbon Spectrum (Deuterated Solvent Resonances Subtracted):

 # C   SHIFT[ppm]+/-Err     INTEGRAL+/-Err  RELAXATION[s]+/-Err PHASE[rad]+/-Err
 -------------------------------------------------------------------------------
   1  149.5125  0.00006     2.930   0.0283    0.79437  0.016417   -3.065  0.0096
   2  149.1585  0.00024     0.347   0.0266    1.08256  0.221703   -3.066  0.0096
   3  128.0294  0.00022     0.446   0.0163    0.72765  0.054088   -2.950  0.0366
   4   63.2112  0.00006     3.636   0.0343    0.60881  0.010634   -3.006  0.0094
   5   29.8507  0.00010     3.146   0.0503    0.62437  0.018619   -3.007  0.0160
   6   25.8400  0.00004     9.418   0.0770    1.09356  0.024068   -3.083  0.0082
   7   18.2236  0.00013     0.812   0.0207    1.34043  0.105396   -2.933  0.0253
   8   14.9478  0.00010     1.475   0.0283    0.97451  0.046275   -3.113  0.0192
   9   -5.4891  0.00005     3.289   0.0340    1.44255  0.049861   -3.187  0.0103
				

Automated VerifyIt Proton Assignments:

Automated VerifyIt Carbon Assignments:

Top 1 FindIt Molecular Structure Consistent With Molecular Formula and Proton Resonances:

The correct structure is at position 1. (Only 1 structure is consistent with the molecular formula.)

 Best 1 structure (structure ID shown in parentheses):
    1: 0.907143 (  643605)
			

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: 0.888509 (  643605)    2: 0.837964 ( 5366562)    3: 0.829786 (  639224)
    4: 0.826581 (  518404)    5: 0.821816 ( 5076169)    6: 0.821025 (  628056)
    7: 0.819229 ( 4356463)    8: 0.818818 ( 3073785)    9: 0.818635 ( 4671250)
   10: 0.818425 ( 3461264)
			

Comments:

The FindIt rating of the correct structure is significantly higher than the one for the next best match. The shown VerifyIt carbon assignment is helpful for identifying ²⁹Si caused satellites which become detectable at the S/N of the acquired carbon spectrum.