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

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79-42-5

硫代乳酸(79-42-5)核磁圖(13CNMR)

產(chǎn)品名稱:硫代乳酸

CAS:79-42-5

分子式:C3H6O2S

分子量: 106.14

InChI:InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)

InChIKey: PMNLUUOXGOOLSP-UHFFFAOYSA-N

Smiles:C(O)(=O)C(S)C

  • 圖譜
    Mass 

    MS-NW-4876          
2-mercaptopropionic acid
C3H6O2S             (Mass of molecular ion:    106)


       Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          15.0       1.1
      17.0       1.2
      18.0       5.4
      26.0       6.4
      27.0      28.5
      28.0       7.7
      29.0       7.1
      32.0       1.3
      33.0       3.1
      34.0       3.7
      35.0      17.2
      43.0       2.4
      44.0       3.6
      45.0      18.5
      46.0       2.2
      47.0       3.6
      55.0       7.0
      56.0       3.1
      57.0       1.8
      58.0       4.7
      59.0      11.4
      60.0      18.3
      61.0     100.0
      62.0       4.4
      63.0       5.4
      73.0       2.0
      78.0       3.5
      88.0       9.1
     106.0      34.9
     107.0       1.7
     108.0       1.8

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C3 H6 O2 S 0.04 ml : 0.5 ml CDCl3
    2-mercaptopropionic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            10.85
      B             3.541
      C             2.257
      D             1.544
     
     J(B,C)=8.3 HZ
     J(B,D)=7.1 HZ
  

         Hz     ppm     Int.


        971.90  10.852    380
    332.74   3.716     41
    325.65   3.637    122
    324.54   3.624     60
    318.55   3.557    141
    317.36   3.544    149
    311.63   3.480     62
    310.35   3.466    152
    303.43   3.389     61
    206.10   2.302    339
    197.81   2.209    296
    141.85   1.584   1000
    134.84   1.506    919

in CDCl3

  • 圖譜

liquid film

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  • 圖譜

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