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105-48-6

氯乙酸異丙酯(105-48-6)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):氯乙酸異丙酯

CAS:105-48-6

分子式:C5H9ClO2

分子量: 136.58

InChI:InChI=1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3

InChIKey: VODRWDBLLGYRJT-UHFFFAOYSA-N

Smiles:C(OC(C)C)(=O)CCl

  • 圖譜
    Mass 

    MS-IW-9107          
isopropyl chloroacetate
C5H9ClO2            (Mass of molecular ion:    136)


       Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          14.0       1.3
      15.0       2.8
      26.0       1.1
      27.0      15.3
      28.0       2.4
      29.0       2.2
      31.0       1.5
      36.0       1.4
      38.0       1.6
      39.0       9.1
      40.0       2.7
      41.0      30.4
      42.0      18.1
      43.0     100.0
      44.0       3.6
      45.0       8.2
      48.0       1.0
      49.0      17.8
      50.0       4.2
      51.0       5.9
      52.0       1.2
      59.0       9.3
      76.0       1.0
      77.0      78.5
      78.0       2.3
      79.0      25.1
      85.0       1.1
      95.0       6.8
      97.0       2.2
     121.0      29.9
     122.0       1.3
     123.0       9.6

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C5 H9 Cl O2 0.05 ml : 0.5 ml CDCl3
    isopropyl chloroacetate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             5.091
      B             4.039
      C             1.288
  

         Hz     ppm     Int.


       2047.24   5.123     52
   2041.02   5.108    127
   2034.67   5.092    166
   2028.44   5.076    129
   2022.22   5.060     53
   1614.38   4.040    842
   1611.45   4.033     37
    525.51   1.315     28
    518.07   1.297   1000
    511.84   1.281    946
    504.27   1.262     22

in CDCl3

  • 圖譜

  • 圖譜

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