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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>4455-13-4更多圖譜> (甲硫基)乙酸乙酯(4455-13-4)核磁圖(1HNMR)

4455-13-4

(甲硫基)乙酸乙酯(4455-13-4)核磁圖(1HNMR)

產(chǎn)品名稱:(甲硫基)乙酸乙酯

CAS:4455-13-4

分子式:C5H10O2S

分子量: 134.2

InChI:InChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3

InChIKey: MDIAKIHKBBNYHF-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CSC

  • 圖譜
    Mass 

    MS-NW-8596          
ethyl (methylthio)acetate
C5H10O2S            (Mass of molecular ion:    134)


       Source Temperature: 260 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV


          15.0       1.4
      27.0      10.4
      28.0       1.3
      29.0      18.0
      31.0       1.3
      35.0       7.7
      42.0       5.9
      43.0       3.1
      45.0      10.1
      46.0       6.4
      47.0       5.5
      48.0       1.8
      59.0       1.9
      60.0       7.7
      61.0     100.0
      62.0       4.0
      63.0       4.8
      70.0       4.0
      75.0       1.3
      77.0       1.4
      88.0      28.9
      89.0       4.0
     134.0      36.9
     135.0       2.4
     136.0       1.9

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C5 H10 O2 S 0.05 ml : 0.5 ml CDCl3
    ethyl (methylthio)acetate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.196
      B             3.190
      C             2.214
      D             1.295
  

         Hz     ppm     Int.


        386.81   4.320     71
    379.63   4.239    221
    372.50   4.160    231
    365.44   4.081     82
    285.75   3.191    623
    198.31   2.215   1000
    122.88   1.373    265
    115.81   1.294    525
    108.63   1.213    232

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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