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603-69-0

二乙酰乙酸乙酯(603-69-0)核磁图(1HNMR)

产品名称:二乙酰乙酸乙酯

CAS:603-69-0

分子式:C8H12O4

分子量: 172.18

InChI:InChI=1S/C8H12O4/c1-4-12-8(11)7(5(2)9)6(3)10/h7H,4H2,1-3H3

InChIKey: YMCDYRGMTRCAPZ-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C(C(C)=O)C(=O)C

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    Mass

    MS-NW-8379          
    ethyl diacetylacetate
    C8H12O4             (Mass of molecular ion:    172)
    

       Source Temperature: 250 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          15.0       5.7
          26.0       1.5
          27.0       7.9
          28.0       2.9
          29.0       9.3
          31.0      10.2
          39.0       2.1
          41.0       1.7
          42.0       3.4
          43.0     100.0
          44.0       2.8
          45.0       5.5
          46.0       1.5
          55.0       1.8
          61.0       5.7
          67.0       2.7
          69.0       4.9
          70.0       4.3
          84.0       6.6
          85.0      19.5
          86.0       1.1
          87.0       2.3
          89.0       1.6
          98.0      12.9
         100.0       1.3
         111.0       3.9
         126.0       6.0
         127.0      11.2
         128.0       1.0
         129.0       5.3
         130.0       3.6
         157.0      12.9
         158.0       1.0
         172.0       7.3
    

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in CDCl3

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liquid film

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