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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>38205-60-6更多圖譜> 2,4-二甲基-5-乙?；邕?38205-60-6)質(zhì)譜(MS)

38205-60-6

2,4-二甲基-5-乙?；邕?38205-60-6)質(zhì)譜(MS)

分子式:C7H9NOS

分子量: 155.22

InChI:InChI=1S/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3

InChIKey: BLQOKWQUTLNKON-UHFFFAOYSA-N

Smiles:C(=O)(C1SC(C)=NC=1C)C

  • 圖譜
    Mass 

    MS-IW-3642          
5-acetyl-2,4-dimethylthiazole
C7H9NOS             (Mass of molecular ion:    155)


       Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV


          15.0       3.8
      26.0       1.0
      27.0       3.8
      28.0       1.3
      38.0       1.7
      39.0       5.2
      40.0       1.5
      41.0       2.8
      42.0       8.1
      43.0      83.7
      44.0       2.9
      45.0      21.4
      47.0       1.0
      51.0       1.1
      55.5       1.4
      58.0       1.9
      59.0       4.6
      67.0       1.3
      69.0      10.7
      70.0       6.8
      71.0      44.4
      72.0      22.2
      73.0       2.9
      74.0       1.0
      84.0       2.3
      85.0       1.6
      99.0       1.1
     112.0      37.3
     113.0       3.2
     114.0      11.6
     140.0     100.0
     141.0       8.0
     142.0       5.0
     155.0      90.8
     156.0       8.4
     157.0       4.6

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C7 H9 N O S 0.05 ml : 0.5 ml CDCl3
    5-acetyl-2,4-dimethylthiazole
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A     *1      2.692
      B     *1      2.682
      C     *1      2.502
  

         Hz     ppm     Int.


       1075.81   2.692    882
   1072.02   2.683    789
   1063.23   2.661     30
   1000.24   2.503   1000

in CDCl3

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liquid film

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