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107-94-8

3-氯丙酸(107-94-8)紅外圖譜(IR2)

產品名稱:3-氯丙酸

CAS:107-94-8

分子式:C3H5ClO2

分子量: 108.52

InChI:InChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

InChIKey: QEYMMOKECZBKAC-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCl

  • 圖譜
    Mass 

    MS-NW-4618          
3-chloropropionic acid
C3H5ClO2            (Mass of molecular ion:    108)


       Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          14.0       1.0
      18.0       1.0
      25.0       1.5
      26.0      10.3
      27.0      36.7
      28.0      34.0
      29.0       6.6
      31.0       1.5
      35.0       1.0
      36.0       4.7
      38.0       1.5
      42.0       4.1
      43.0       2.4
      44.0       1.4
      45.0      22.6
      46.0       2.0
      49.0       4.9
      51.0       1.6
      55.0      12.3
      61.0       1.5
      62.0       4.9
      63.0      12.1
      64.0       2.5
      65.0       3.9
      72.0       5.4
      73.0     100.0
      74.0       3.5
      89.0       1.0
      91.0       2.1

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C3 H5 Cl O2 0.044 g : 0.5 ml CDCl3
    3-chloropropionic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            11.80
      B             3.76
      C             2.87
  

         Hz     ppm     Int.


       1060.85  11.846     39
   1057.20  11.805    358
    343.88   3.840    368
    343.33   3.834    350
    337.22   3.766    776
    336.74   3.760    968
    333.25   3.721     32
    332.86   3.717     34
    330.63   3.692    557
    263.51   2.943    545
    261.44   2.920     40
    261.13   2.916     39
    259.70   2.900     63
    257.00   2.870   1000
    254.54   2.843     40
    253.19   2.828     32
    250.42   2.797    379
    249.94   2.791    340

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

KBr disc

  • 圖譜

liquid film

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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