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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>13623-11-5更多圖譜> 2,4,5-三甲基噻唑(13623-11-5)質(zhì)譜(MS)

13623-11-5

2,4,5-三甲基噻唑(13623-11-5)質(zhì)譜(MS)

產(chǎn)品名稱:2,4,5-三甲基噻唑

CAS:13623-11-5

分子式:C6H9NS

分子量: 127.21

InChI:InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3

InChIKey: BAMPVSWRQZNDQC-UHFFFAOYSA-N

Smiles:S1C(C)=C(C)N=C1C

  • 圖譜
    Mass 

    MS-IW-9661          
2,4,5-trimethylthiazole
C6H9NS              (Mass of molecular ion:    127)


       Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          15.0       2.1
      26.0       1.6
      27.0       7.0
      28.0       1.6
      38.0       1.4
      39.0       6.2
      40.0       1.8
      41.0       6.2
      42.0      10.1
      45.0      13.6
      46.0       2.1
      47.0       1.4
      50.0       2.1
      51.0       3.7
      52.0       2.2
      53.0       9.6
      54.0       1.1
      55.5       1.2
      57.0       1.6
      58.0       7.8
      59.0      20.1
      60.0       1.6
      61.0       1.0
      68.0       4.1
      69.0       4.3
      70.0       1.9
      71.0      89.1
      72.0       4.2
      73.0       4.2
      84.0       1.0
      85.0      31.1
      86.0      86.9
      87.0       6.0
      88.0       4.0
     112.0       1.2
     126.0       3.7
     127.0     100.0
     128.0       8.5
     129.0       4.8

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C6 H9 N S 0.05 ml : 0.5 ml CDCl3
    2,4,5-trimethylthiazole
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             2.586
      B     *1      2.280
      C     *1      2.271
  

         Hz     ppm     Int.


       1046.63   2.619     22
   1033.57   2.587   1000
   1033.08   2.585    980
    923.95   2.312     32
    911.38   2.281    830
    910.89   2.280    801
    908.08   2.273    930
    907.35   2.271    827
    895.75   2.242     26
    895.26   2.241     27

in CDCl3

  • 圖譜

  • 圖譜

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