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网站主页CAS数据库列表 5345-01-7更多图谱3-乙基-3-甲基戊二酸(5345-01-7)质谱(MS)

3-乙基-3-甲基戊二酸

产品名称 3-乙基-3-甲基戊二酸

CAS号5345-01-7

分子式C8H14O4

分子量174.19

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  • Mass

    MS-NW-1813          
    3-ethyl-3-methylglutaric acid
    C8H14O4             (Mass of molecular ion:    174)
    

       Source Temperature: 180 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       3.0
          17.0       1.5
          18.0       6.9
          26.0       2.1
          27.0      36.8
          28.0       5.9
          29.0      34.5
          31.0       6.8
          38.0       2.0
          39.0      32.6
          40.0       5.3
          41.0      73.7
          42.0      12.2
          43.0      41.9
          44.0       1.5
          45.0      15.3
          50.0       1.6
          51.0       3.3
          52.0       1.5
          53.0      15.6
          54.0       4.4
          55.0      52.8
          56.0       4.6
          57.0       7.1
          58.0       3.1
          59.0       8.4
          60.0      30.1
          61.0       2.7
          65.0       1.4
          67.0       8.2
          68.0      12.5
          69.0      91.2
          70.0      19.7
          71.0      35.5
          72.0       6.7
          73.0     100.0
          74.0       4.6
          81.0      10.0
          82.0       3.3
          83.0       2.6
          84.0       4.8
          85.0       5.1
          86.0       1.7
          87.0       1.0
          94.0       2.6
          95.0       2.3
          96.0       7.6
          97.0      53.4
          98.0       6.9
          99.0      29.2
         100.0       3.0
         103.0       1.0
         109.0       3.4
         110.0       2.1
         111.0       1.3
         113.0       6.1
         114.0      21.1
         115.0      77.8
         116.0       5.3
         126.0       2.3
         127.0      58.2
         128.0      21.2
         129.0       2.0
         138.0       2.4
         141.0       2.7
         145.0       1.2
         156.0       6.9
         157.0       2.7
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H14 O4 0.053 g : 0.5 ml CDCl3
    3-ethyl-3-methylglutaric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.61 B 2.516 C 1.49 D 1.118 E 0.904

         Hz     ppm     Int.
    

       1039.32  11.605    174
        225.33   2.516   1000
        140.91   1.574    116
        133.39   1.490    160
        132.19   1.476     95
        100.15   1.119    910
         86.99   0.972    214
         80.24   0.896    419
         72.38   0.809    108
    

in CDCl3



KBr disc



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