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返回ChemicalBook首页>CAS数据库列表>41840-28-2更多图谱> S-Boc-2-巯基-4,6-二甲基嘧啶(41840-28-2)质谱(MS)

41840-28-2

S-Boc-2-巯基-4,6-二甲基嘧啶(41840-28-2)质谱(MS)

分子式:C11H16N2O2S

分子量: 240.32

InChI:InChI=1S/C11H16N2O2S/c1-7-6-8(2)13-9(12-7)16-10(14)15-11(3,4)5/h6H,1-5H3

InChIKey: POTDIELOEHTPJN-UHFFFAOYSA-N

Smiles:C(SC1=NC(C)=CC(C)=N1)(=O)OC(C)(C)C

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    Mass

    MS-IW-2313          
    O-tert-butyl S-(4,6-dimethyl-2-pyrimidinyl) thiocarbonate
    C11H16N2O2S         (Mass of molecular ion:    240)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.7
          26.0       1.5
          27.0       7.4
          28.0       7.6
          29.0      11.4
          31.0       1.3
          37.0       1.9
          38.0       4.4
          39.0      35.8
          40.0       8.6
          41.0      61.9
          42.0      15.8
          43.0       3.2
          44.0      43.4
          45.0       1.9
          50.0       3.1
          51.0       3.4
          52.0       2.0
          53.0       5.2
          54.0       2.0
          55.0      12.0
          56.0      28.0
          57.0      88.7
          58.0       4.7
          59.0       6.3
          60.0       4.8
          64.0       1.1
          65.0       1.8
          66.0       9.8
          67.0      13.2
          70.0       1.4
          71.0       1.1
          72.0       5.1
          80.0       2.8
          81.0       1.9
          82.0      38.2
          83.0       2.7
          84.0       1.4
          85.0       1.0
          95.0       1.2
          96.0       2.5
          98.0       2.8
          99.0       1.1
         107.0      12.3
         108.0       2.0
         112.0       1.2
         113.0       1.2
         123.0       1.5
         124.0       1.2
         125.0      16.5
         126.0       1.2
         139.0       4.4
         140.0     100.0
         141.0      15.3
         142.0       6.0
         167.0       4.2
         196.0       1.1
    

parameter in CDCl3

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    1H NMR 300 MHz
    C11 H16 N2 O2 S 0.049 g : 0.5 ml CDCl3
    o-tert-butyl S-(4,6-dimethyl-2-pyrimidinyl) thiocarbonate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.973 D(B) 2.511 J(A,B) 0.5 D(C) 1.516

         Hz     ppm     Int.
    

       2091.97   6.973     58
        753.52   2.512    466
        753.16   2.511    466
        454.82   1.516   1000
    

in CDCl3

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KBr disc

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