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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

  • 圖譜

  • 圖譜

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