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网站主页CAS数据库列表 617-62-9更多图谱2-甲基戊二酸(617-62-9)核磁图(13CNMR)

2-甲基戊二酸

产品名称 2-甲基戊二酸

CAS号617-62-9

分子式C6H10O4

分子量146.14

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  • Mass

    MS-IW-5246          
    2-methylglutaric acid
    C6H10O4             (Mass of molecular ion:    146)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       2.7
          18.0      14.2
          26.0       2.6
          27.0      15.2
          28.0      14.7
          29.0      16.8
          30.0       1.4
          31.0       4.2
          39.0      10.4
          40.0       1.7
          41.0      25.8
          42.0      24.8
          43.0      21.8
          44.0       2.0
          45.0      16.6
          51.0       1.1
          53.0       3.6
          54.0       6.3
          55.0      61.2
          56.0      62.8
          57.0       7.1
          58.0       7.1
          59.0      14.8
          60.0      33.7
          61.0       1.7
          69.0      27.7
          70.0       1.3
          71.0       1.5
          72.0       4.2
          73.0      15.6
          74.0      25.2
          82.0       5.5
          83.0      17.2
          84.0       5.6
          85.0       9.2
          86.0       1.7
          87.0      12.7
          99.0       2.2
         100.0     100.0
         101.0      12.4
         102.0       2.5
         128.0      32.2
         129.0       7.7
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C6H10O4 0.040 g : 0.5 ml CDCl3
    2-methylglutaric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.8 B 2.560 C 2.458 D *1 2.008 E *1 1.820 F 1.229

         Hz     ppm     Int.
    

       4728.58  11.828     61
       1041.19   2.605     20
       1034.23   2.587     74
       1027.09   2.570    116
       1020.13   2.552    121
       1013.17   2.535     83
       1006.02   2.517     27
       1000.89   2.504     22
        991.37   2.480    173
        989.72   2.476    178
        982.39   2.458    360
        975.98   2.442    212
        975.07   2.439    203
        965.36   2.415     22
        821.93   2.056     40
        814.23   2.037     90
        806.54   2.018     96
        800.13   2.002    130
        792.44   1.983    107
        784.74   1.963     43
        743.53   1.860     51
        736.20   1.842     88
        729.61   1.825    113
        722.28   1.807    107
        716.23   1.792     63
        708.36   1.772     30
        494.77   1.238   1000
        487.63   1.220    971
    

in CDCl3



KBr disc



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