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79-11-8

氯乙酸(79-11-8)Raman光譜

產(chǎn)品名稱:氯乙酸

CAS:79-11-8

分子式:C2H3ClO2

分子量: 94.5

InChI:InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)

InChIKey: FOCAUTSVDIKZOP-UHFFFAOYSA-N

Smiles:C(O)(=O)CCl

  • 圖譜
    Mass 

    MS-NW-6818          
chloroacetic acid
C2H3ClO2            (Mass of molecular ion:     94)


       Source Temperature: 260 °C
   Sample Temperature: 200 °C
   Reservoir, 75 eV


          13.0       2.0
      14.0       4.7
      15.0       2.5
      17.0       5.5
      18.0      22.6
      28.0       4.2
      29.0       5.6
      31.0       5.6
      35.0       1.9
      36.0       3.3
      38.0       1.2
      41.0       2.0
      42.0       6.6
      44.0       3.0
      45.0      28.8
      47.0       2.8
      48.0       5.2
      49.0      35.2
      50.0     100.0
      51.0      12.1
      52.0      31.2
      77.0       3.2
      79.0       1.1
      94.0       5.8
      96.0       1.9
     108.0       1.0

parameter in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C2 H3 Cl O2 0.038 g : 0.5 ml CDCl3
    chloroacetic acid
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)        11.26
     
      D(B)         4.147
  

         Hz     ppm     Int.


       3377.98  11.260    227
   1244.10   4.147   1000

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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