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网站主页CAS数据库列表 59346-56-4更多图谱2,2,4-三甲基-3-羟基正戊腈(59346-56-4)核磁图(13CNMR)

2,2,4-三甲基-3-羟基正戊腈

产品名称 2,2,4-三甲基-3-羟基正戊腈

CAS号59346-56-4

分子式C8H15NO

分子量141.21

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  • Mass

    MS-NW-8761          
    3-hydroxy-2,2,4-trimethylvaleronitrile
    C8H15NO             (Mass of molecular ion:    141)
    

       Source Temperature: 270 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          15.0       2.5
          18.0       1.4
          26.0       1.3
          27.0      19.3
          28.0      10.4
          29.0      14.2
          30.0       3.3
          31.0      10.6
          38.0       1.1
          39.0      15.5
          40.0       3.0
          41.0      33.5
          42.0      20.8
          43.0      71.8
          44.0       3.4
          45.0      10.9
          51.0       1.1
          52.0       2.3
          53.0       4.3
          54.0      16.5
          55.0      69.7
          56.0      26.1
          57.0      33.1
          58.0       1.8
          59.0       1.2
          66.0       1.0
          67.0       1.5
          68.0      11.3
          69.0     100.0
          70.0      43.5
          71.0       8.3
          72.0      77.6
          73.0      94.8
          74.0       4.4
          81.0       1.4
          82.0       2.6
          83.0       2.3
          84.0       3.7
          85.0       1.7
          97.0       1.0
          98.0      14.9
          99.0       1.5
         100.0       2.0
         124.0       1.6
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H15 N O 0.05 ml : 0.5 ml CDCl3
    3-hydroxy-2,2,4-trimethylvaleronitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.249 B 2.64 C 2.009 D *1 1.433 E *1 1.346 F 1.054

         Hz     ppm     Int.
    

       1300.29   3.254    190
       1297.00   3.246    187
       1055.66   2.642     23
        818.48   2.048     23
        815.31   2.041     23
        811.65   2.031     57
        808.35   2.023     56
        804.81   2.014     77
        801.51   2.006     76
        797.97   1.997     61
        794.68   1.989     59
        791.14   1.980     27
        787.84   1.972     26
        573.00   1.434   1000
        538.09   1.347    973
        424.80   1.063    902
        417.72   1.046    933
    

in CDCl3



KBr disc



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