13CNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 13CNMR)" />

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68-11-1

巰基乙酸(68-11-1)核磁圖(13CNMR)

產(chǎn)品名稱(chēng):巰基乙酸

CAS:68-11-1

分子式:C2H4O2S

分子量: 92.12

InChI:InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)

InChIKey: CWERGRDVMFNCDR-UHFFFAOYSA-N

Smiles:C(O)(=O)CS

  • 圖譜
    Mass 

    MS-NW-3090          
mercaptoacetic acid
C2H4O2S             (Mass of molecular ion:     92)


       Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          13.0       1.2
      14.0       4.3
      15.0       2.1
      17.0       4.7
      18.0      20.7
      28.0       7.2
      29.0       4.8
      31.0       3.4
      32.0       3.6
      33.0       3.6
      34.0       2.8
      36.0       1.9
      41.0       2.0
      42.0      12.1
      43.0       6.0
      44.0      18.1
      45.0      41.0
      46.0      47.3
      47.0     100.0
      48.0       7.8
      49.0       4.7
      60.0       4.3
      64.0       2.3
      74.0      18.2
      75.0       1.7
      76.0       3.5
      78.0       4.6
      92.0      59.7
      93.0       2.0
      94.0       3.0
     106.0      13.5
     108.0       1.2
     110.0       2.2
     120.0       1.0
     148.0       4.9

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C2 H4 O2 S 0.05 ml : 0.5 ml CDCl3
    mercaptoacetic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             9.397
      B             3.320
      C             2.082
  

         Hz     ppm     Int.


        841.59   9.397    553
    301.98   3.372    809
    293.60   3.279   1000
    194.23   2.169    371
    186.19   2.079    442
    185.60   2.073    312
    177.56   1.983    279

in CDCl3

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liquid film

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  • 圖譜

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