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624-65-7

3-氯丙炔(624-65-7)質(zhì)譜(MS)

產(chǎn)品名稱:3-氯丙炔

CAS:624-65-7

分子式:C3H3Cl

分子量: 74.51

InChI:InChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2

InChIKey: LJZPPWWHKPGCHS-UHFFFAOYSA-N

Smiles:C#CCCl

  • 圖譜
    Mass 

    MS-NW-4389          
3-chloropropyne
C3H3Cl              (Mass of molecular ion:     74)


       Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV


          25.0       1.4
      26.0       1.2
      35.0       2.3
      36.0       6.5
      37.0      16.9
      38.0      22.7
      39.0     100.0
      40.0       3.6
      47.0       2.7
      49.0       1.4
      72.0       1.2
      73.0       4.4
      74.0      31.9
      75.0       4.1
      76.0      10.2
      77.0       1.0

90 MHz in CDCl3

parameter in TMS

  • 圖譜

    1H NMR 89.56 MHz
    C3 H3 Cl 0.02 ml : 0.5 ml CDCl3
    3-chloropropyne
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.120
      B             2.525
  

         Hz     ppm     Int.


        370.69   4.140    968
    368.06   4.110   1000
    363.94   4.064     36
    229.88   2.567    270
    227.25   2.538    498
    224.69   2.509    257

  • 圖譜

    1H NMR 300 MHz
    C3 H3 Cl 2 vol% in TMS
    3-chloropropyne
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         2.238
      D(B)         3.938
       J(A,B)          2.6
     
     WHIPPLE,E.B. ET AL. J.AM.CHEM.SOC. 81, 1321 (1959)
  

         Hz     ppm     Int.


       1182.71   3.942    990
   1180.12   3.934   1000
    673.99   2.247    258
    671.40   2.238    498
    668.82   2.229    253

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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