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598-78-7

2-氯丙酸(598-78-7)質(zhì)譜(MS)

產(chǎn)品名稱:2-氯丙酸

CAS:598-78-7

分子式:C3H5ClO2

分子量: 108.52

InChI:InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)

InChIKey: GAWAYYRQGQZKCR-UHFFFAOYSA-N

Smiles:C(O)(=O)C(Cl)C

  • 圖譜
    Mass 

    MS-NW-2954          
2-chloropropionic acid
C3H5ClO2            (Mass of molecular ion:    108)


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


          14.0       1.3
      15.0       2.9
      18.0       1.6
      25.0       2.3
      26.0      22.5
      27.0      78.7
      28.0     100.0
      29.0      47.7
      30.0       1.5
      35.0       1.7
      36.0      11.6
      38.0       3.7
      42.0       1.1
      43.0       5.1
      44.0       3.4
      45.0      28.4
      46.0       1.2
      49.0       1.7
      53.0       1.1
      55.0       9.1
      56.0       3.7
      57.0       1.5
      61.0       2.1
      62.0       7.2
      63.0      46.9
      64.0      62.7
      65.0      16.2
      66.0      18.8
      72.0       2.1
      73.0       6.5
      74.0       3.3
      91.0       1.2
     108.0       1.3

parameter in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C3 H5 Cl O2 0.02 ml : 0.5 ml CDCl3
    2-chloropropionic acid
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)        11.5
     
      D(B)         4.453
      D(C)         1.742
       J(B,C)          6.99
  

         Hz     ppm     Int.


       3444.87  11.483    339
   1346.46   4.488     84
   1339.52   4.465    254
   1332.49   4.442    259
   1325.56   4.419     89
    526.12   1.754   1000
    519.18   1.731    983

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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