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638-65-3

十八烷腈(638-65-3)Raman光谱

产品名称:十八烷腈

CAS:638-65-3

分子式:C18H35N

分子量: 265.48

InChI:InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3

InChIKey: RHSBIGNQEIPSCT-UHFFFAOYSA-N

Smiles:C(#N)CCCCCCCCCCCCCCCCC

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    Mass

    MS-IW-0901          
    stearonitrile
    C18H35N             (Mass of molecular ion:    265)
    

       Source Temperature: 140 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       4.5
          27.0       2.8
          28.0       1.4
          29.0       9.1
          30.0       2.1
          39.0       2.7
          41.0      25.5
          42.0       7.0
          43.0      41.2
          44.0       3.8
          53.0       1.7
          54.0       7.6
          55.0      25.2
          56.0      14.9
          57.0     100.0
          58.0       7.6
          67.0       6.1
          68.0       4.0
          69.0      19.5
          70.0      48.7
          71.0      45.6
          72.0       3.8
          79.0       4.7
          80.0       2.3
          81.0       6.6
          82.0      24.2
          83.0      30.6
          84.0      24.3
          85.0      35.4
          86.0       3.2
          93.0       5.4
          94.0       3.1
          95.0       5.2
          96.0      54.4
          97.0      91.6
          98.0      23.2
          99.0      22.8
         100.0       2.4
         107.0       3.7
         108.0       2.4
         109.0       2.8
         110.0      72.6
         111.0      45.2
         112.0      17.8
         113.0      17.1
         114.0       2.1
         121.0       3.0
         122.0       4.1
         123.0       1.9
         124.0      50.9
         125.0      25.7
         126.0      18.0
         127.0      12.4
         128.0       1.9
         135.0       2.4
         136.0       3.3
         137.0       1.1
         138.0      28.9
         139.0      12.4
         140.0      11.3
         141.0       7.5
         142.0       1.3
         149.0       1.4
         150.0       1.6
         152.0      22.4
         153.0       7.7
         154.0       8.8
         155.0       3.4
         164.0       1.6
         166.0      20.3
         167.0       7.2
         168.0       7.0
         169.0       2.1
         178.0       1.5
         180.0      21.4
         181.0       9.9
         182.0       6.7
         183.0       1.4
         192.0       1.7
         194.0      26.3
         195.0      14.2
         196.0       5.1
         206.0       1.1
         208.0      31.1
         209.0      17.4
         210.0       5.6
         222.0      35.8
         223.0      15.9
         224.0       6.2
         236.0      26.0
         237.0       8.2
         238.0       1.2
         250.0       4.8
         251.0       1.4
         264.0       1.7
         265.0      12.9
         266.0       3.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C18 H35 N 0.033 g : 0.5 ml CDCl3
    stearonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.333 B 1.652 C 1.444 D 1.29 E 1.26 F 0.880

         Hz     ppm     Int.
    

        939.58   2.352     83
        932.50   2.334    175
        925.29   2.316     90
        668.82   1.674     40
        661.38   1.655     51
        653.93   1.637     48
        646.61   1.618     24
        583.86   1.461     22
        576.42   1.443     29
        568.97   1.424     24
        524.66   1.313     49
        514.65   1.288    124
        502.81   1.259   1000
        492.07   1.232     48
        358.76   0.898     60
        352.05   0.881    190
        345.09   0.864     73
    

in CDCl3

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KBr disc

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nujol mull

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