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762-42-5

丁炔二酸二甲酯(762-42-5)质谱(MS)

产品名称:丁炔二酸二甲酯

CAS:762-42-5

分子式:C6H6O4

分子量: 142.11

InChI:InChI=1S/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3

InChIKey: VHILMKFSCRWWIJ-UHFFFAOYSA-N

Smiles:C(OC)(=O)C#CC(OC)=O

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    Mass

    MS-NW-1338          
    dimethyl acetylenedicarboxylate
    C6H6O4              (Mass of molecular ion:    142)
    

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

          15.0      23.9
          24.0       2.2
          25.0       1.7
          26.0       1.6
          27.0       1.8
          28.0       4.4
          29.0       8.9
          30.0       2.3
          31.0       2.3
          37.0       1.1
          38.0       2.1
          39.0      36.9
          40.0       1.6
          45.0       1.7
          52.0      14.3
          53.0       6.5
          54.0       1.2
          59.0      15.0
          66.0       2.4
          68.0       1.4
          69.0       4.6
          80.0       9.5
          81.0       1.5
          82.0       3.2
          83.0       4.1
          84.0       5.7
          85.0       1.3
          98.0       8.0
         111.0     100.0
         112.0      16.4
         113.0       3.6
         142.0       1.4
    

parameter in CDCl3

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    1H NMR 300 MHz
    C6 H6 O4 0.04 ml : 0.5 ml CDCl3
    dimethyl acetylenedicarboxylate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.851

         Hz     ppm     Int.
    

       1155.30   3.851   1000
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,100M,liquid

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