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网站主页CAS数据库列表 150-96-9更多图谱3-羟基-3-甲基戊酸(150-96-9)核磁图(13CNMR)

3-羟基-3-甲基戊酸

产品名称 3-羟基-3-甲基戊酸

CAS号150-96-9

分子式C6H12O3

分子量132.16

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  • Mass

    MS-NW-6656          
    3-hydroxy-3-methylvaleric acid
    C6H12O3             (Mass of molecular ion:    132)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       4.7
          15.0       5.2
          17.0       1.5
          18.0       6.8
          26.0       1.9
          27.0       9.6
          28.0       3.4
          29.0      16.7
          31.0       3.2
          39.0       5.7
          40.0       1.0
          41.0       8.6
          42.0      13.0
          43.0     100.0
          44.0       3.4
          45.0       4.7
          53.0       2.4
          55.0      14.4
          57.0      25.8
          58.0       1.8
          60.0       3.5
          61.0       4.4
          67.0       1.3
          68.0       1.9
          69.0       4.0
          70.0       2.6
          71.0       2.6
          72.0       8.9
          73.0      25.6
          74.0       1.3
          85.0      31.5
          86.0       1.6
          96.0       1.1
          97.0       1.0
          99.0       7.0
         103.0      17.1
         104.0       1.0
         114.0       2.3
         117.0       4.0
         139.0       1.1
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H12 O3 0.05 ml : 0.5 ml CDCl3
    3-hydroxy-3-methylvaleric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.97 B 2.54 C 1.604 D 1.276 E 0.95

         Hz     ppm     Int.
    

        624.44   6.973     56
        227.00   2.535    437
        156.69   1.750     50
        155.25   1.734     53
        151.63   1.694     41
        148.19   1.655    164
        145.56   1.626     48
        145.19   1.622     48
        140.56   1.570    213
        138.13   1.543     42
        137.38   1.534     38
        137.00   1.530     38
        133.75   1.494     94
        123.38   1.378     38
        122.75   1.371     42
        122.31   1.366     38
        121.00   1.352     38
        114.38   1.278   1000
        111.00   1.240     60
        110.56   1.235     55
         94.50   1.056     43
         91.25   1.019    249
         88.75   0.991     54
         88.44   0.988     50
         84.19   0.941    449
         78.75   0.880     44
         76.56   0.855    135
    

in CDCl3



liquid film



4880 A,200 M,liquid