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2365-48-2

巰基乙酸甲酯(2365-48-2)質(zhì)譜(MS)

產(chǎn)品名稱:巰基乙酸甲酯

CAS:2365-48-2

分子式:C3H6O2S

分子量: 106.14

InChI:InChI=1S/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3

InChIKey: MKIJJIMOAABWGF-UHFFFAOYSA-N

Smiles:C(OC)(=O)CS

  • 圖譜
    Mass 

    MS-NW-5854          
methyl mercaptoacetate
C3H6O2S             (Mass of molecular ion:    106)


       Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          14.0       4.0
      15.0      27.9
      18.0       1.0
      27.0       1.0
      28.0       3.7
      29.0       6.8
      30.0       1.1
      31.0       3.9
      32.0       1.3
      33.0       4.7
      34.0       1.2
      41.0       1.1
      42.0      14.2
      43.0       3.7
      44.0       3.6
      45.0      25.1
      46.0      33.7
      47.0     100.0
      48.0       4.1
      49.0       5.0
      59.0      31.8
      60.0       1.5
      61.0       2.0
      74.0      69.2
      75.0      13.5
      76.0       3.7
      77.0       1.2
      78.0       1.0
      91.0       1.1
     106.0      62.2
     107.0       3.1
     108.0       3.1
     119.0       1.2
     178.0       1.4

parameter in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C3 H6 O2 S 0.04 ml : 0.5 ml CDCl3
    methyl mercaptoacetate
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         3.751
     
      D(B)         3.275
      D(C)         2.026
       J(B,C)          8.25
  

         Hz     ppm     Int.


       1125.31   3.751   1000
    986.67   3.289    321
    978.43   3.261    337
    615.96   2.053     87
    607.72   2.026    157
    599.48   1.998     80

in CDCl3

  • 圖譜

liquid film

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  • 圖譜

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