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645-62-5

2-乙基-2-己烯醛(645-62-5)红外图谱(IR1)

产品名称:2-乙基-2-己烯醛

CAS:645-62-5

分子式:C8H14O

分子量: 126.2

InChI:InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3

InChIKey: PYLMCYQHBRSDND-UHFFFAOYSA-N

Smiles:C(=O)C(CC)=CCCC

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    Mass

    MS-IW-5636          
    2-ethyl-2-hexenal
    C8H14O              (Mass of molecular ion:    126)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       1.1
          27.0      18.5
          28.0       2.7
          29.0      21.1
          31.0       1.2
          38.0       1.5
          39.0      22.8
          40.0       3.9
          41.0      62.1
          42.0      10.9
          43.0      33.4
          44.0       1.9
          45.0       1.5
          50.0       2.0
          51.0       4.9
          52.0       2.1
          53.0      12.7
          54.0       3.5
          55.0     100.0
          56.0      16.3
          57.0      31.4
          58.0       2.1
          63.0       1.5
          65.0       4.7
          66.0       3.0
          67.0      21.9
          68.0       5.6
          69.0      24.9
          70.0       9.9
          71.0       6.9
          72.0       2.9
          77.0      14.6
          78.0       2.7
          79.0      17.4
          80.0       2.2
          81.0       7.7
          82.0       2.3
          83.0      20.7
          84.0       8.4
          85.0      12.6
          91.0      10.6
          92.0       1.1
          93.0      25.6
          94.0       2.1
          95.0       5.9
          96.0       1.7
          97.0      63.7
          98.0       8.1
         107.0       1.5
         108.0       5.7
         109.0       1.7
         111.0      30.5
         112.0       3.0
         125.0       3.1
         126.0      52.6
         127.0       6.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H14 O 0.04 ml : 0.5 ml CDCl3
    2-ethyl-2-hexenal
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.367 B 6.428 C *1 2.32 D *1 2.29 E 1.53 F 0.99 G 0.97

         Hz     ppm     Int.
    

        838.92   9.368    457
        583.23   6.513     89
        575.83   6.430    182
        568.36   6.347     95
        221.19   2.470     79
        214.45   2.395    282
        212.04   2.368     61
        211.38   2.361     67
        210.21   2.348     62
        209.69   2.342     51
        207.06   2.312    490
        204.49   2.284     79
        204.20   2.281     80
        202.44   2.261     51
        199.51   2.228    373
        197.02   2.200     51
        192.04   2.145    111
        150.59   1.682     63
        149.49   1.670    103
        144.07   1.609     89
        142.60   1.593    159
        141.65   1.582    111
        136.89   1.529     88
        135.64   1.515    128
        134.62   1.504    174
        133.37   1.490     49
        129.35   1.445     76
        127.66   1.426    137
         95.87   1.071    231
         94.78   1.059    501
         94.19   1.052    638
         91.85   1.026    222
         89.79   1.003     69
         88.26   0.986    719
         86.94   0.971   1000
         85.47   0.955    271
         84.52   0.944    180
         81.59   0.912    161
         80.49   0.899    253
         79.17   0.884    402
         76.54   0.855     61
         76.17   0.851     56
    

in CDCl3

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CCl4 solution

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liquid film

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