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112-31-2

癸醛(112-31-2)质谱(MS)

产品名称:癸醛

CAS:112-31-2

分子式:C10H20O

分子量: 156.27

InChI:InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

InChIKey: KSMVZQYAVGTKIV-UHFFFAOYSA-N

Smiles:C(=O)CCCCCCCCC

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    Mass

    MS-NW-0922          
    decanal
    C10H20O             (Mass of molecular ion:    156)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.8
          18.0       1.7
          26.0       1.5
          27.0      33.7
          28.0       7.1
          29.0      50.8
          30.0       1.4
          31.0       2.5
          39.0      19.3
          40.0       3.3
          41.0      80.8
          42.0      30.5
          43.0     100.0
          44.0      54.0
          45.0      17.4
          51.0       1.1
          53.0       5.0
          54.0      14.6
          55.0      61.9
          56.0      43.0
          57.0      62.2
          58.0       5.5
          59.0       1.0
          60.0       2.8
          66.0       4.0
          67.0      26.2
          68.0      34.4
          69.0      29.6
          70.0      47.2
          71.0      33.8
          72.0       6.8
          73.0       2.7
          79.0       1.5
          80.0       1.0
          81.0      22.3
          82.0      33.5
          83.0      27.7
          84.0      16.3
          85.0       4.3
          86.0       1.3
          95.0      17.4
          96.0      14.6
          97.0       5.2
          99.0       2.5
         109.0       7.4
         110.0      12.1
         111.0       1.4
         112.0      21.6
         113.0       3.0
         128.0       3.8
         129.0       1.0
         138.0       2.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H20 O 0.05 ml : 0.5 ml CDCl3
    decanal
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.761 B 2.419 C 1.628 D 1.32 E 1.27 F 0.879

         Hz     ppm     Int.
    

       3902.89   9.766    326
       3901.06   9.762    583
       3899.23   9.757    310
        975.49   2.441    264
        973.51   2.436    258
        968.17   2.423    468
        966.19   2.418    447
        962.68   2.409     55
        960.69   2.404    291
        958.86   2.400    283
        665.59   1.666     54
        658.26   1.648    161
        650.94   1.629    224
        643.62   1.611    166
        636.29   1.593     62
        520.94   1.304    644
        508.58   1.273   1000
        358.58   0.898    370
        351.87   0.881    970
        344.85   0.863    423
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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