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1975-78-6

癸腈(1975-78-6)核磁图(1HNMR)

产品名称:癸腈

CAS:1975-78-6

分子式:C10H19N

分子量: 153.26

InChI:InChI=1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3

InChIKey: HBZDPWBWBJMYRY-UHFFFAOYSA-N

Smiles:C(#N)CCCCCCCCC

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    Mass

    MS-IW-8200          
    decanenitrile
    C10H19N             (Mass of molecular ion:    153)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.6
          26.0       1.4
          27.0      26.9
          28.0       7.8
          29.0      40.0
          30.0       5.0
          39.0      23.7
          40.0       4.6
          41.0      99.8
          42.0      21.6
          43.0      82.6
          44.0       5.5
          51.0       1.7
          52.0       1.9
          53.0       8.2
          54.0      70.2
          55.0      67.2
          56.0      25.8
          57.0      59.4
          58.0       3.8
          65.0       1.5
          66.0       1.5
          67.0       9.7
          68.0      15.5
          69.0      78.4
          70.0      20.7
          71.0      16.3
          72.0       1.6
          77.0       1.5
          79.0       8.9
          80.0       3.2
          81.0       9.0
          82.0     100.0
          83.0      79.4
          84.0      13.3
          85.0       3.2
          91.0       2.5
          93.0       6.2
          94.0       3.5
          95.0       3.9
          96.0      97.9
          97.0      87.2
          98.0       9.4
         107.0       3.9
         108.0       1.7
         109.0       1.3
         110.0      89.8
         111.0      26.1
         112.0       2.5
         122.0       1.1
         124.0      42.0
         125.0       6.3
         138.0       7.0
         152.0       4.2
         154.0       1.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H19 N 0.05 ml : 0.5 ml CDCl3
    decanenitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.334 B 1.650 C 1.442 D 1.29 E 0.883

         Hz     ppm     Int.
    

        940.43   2.354    455
        933.23   2.336    950
        926.15   2.318    516
        675.17   1.690     87
        667.85   1.672    231
        660.40   1.653    296
        652.95   1.634    271
        645.75   1.616    126
        591.80   1.481     42
        584.47   1.463    120
        577.27   1.445    167
        572.63   1.433    111
        569.70   1.426    139
        562.50   1.408     66
        533.33   1.335    133
        528.81   1.324    200
        516.60   1.293    708
        514.65   1.288    661
        509.64   1.276    724
        360.11   0.902    303
        353.27   0.884   1000
        346.31   0.867    405
    

in CDCl3

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liquid film

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