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2835-39-4

异戊酸烯丙酯(2835-39-4)红外图谱(IR1)

产品名称:异戊酸烯丙酯

CAS:2835-39-4

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3

InChIKey: HOMAGVUCNZNWBC-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5736          
    allyl isovalerate
    C8H14O2             (Mass of molecular ion:    142)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       2.5
          26.0       1.4
          27.0      12.5
          28.0       3.3
          29.0      23.9
          31.0       1.7
          38.0       1.7
          39.0      21.9
          40.0       4.1
          41.0      92.9
          42.0       6.4
          43.0      19.1
          44.0       1.1
          45.0       1.4
          54.0       5.2
          55.0      13.4
          56.0       7.2
          57.0      96.4
          58.0       6.9
          59.0      18.1
          60.0       2.4
          61.0       1.7
          67.0       1.2
          69.0       4.9
          71.0       2.4
          72.0       1.0
          81.0       1.7
          82.0       2.5
          83.0       1.5
          85.0     100.0
          86.0       5.7
          99.0       1.8
         100.0      14.6
         101.0       1.7
         103.0       1.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H14 O2 0.04 ml : 0.5 ml CDCl3
    allyl isovalerate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.90 B 5.33 C 5.23 D 4.577 E 2.20 F 2.12 G 0.97

         Hz     ppm     Int.
    

        551.31   6.156     36
        545.63   6.093     62
        541.25   6.044     44
        540.13   6.031     43
        535.56   5.980     73
        534.06   5.964     63
        530.19   5.920     51
        528.38   5.900     99
        524.00   5.851     79
        522.94   5.839     77
        518.31   5.788    129
        513.00   5.729     99
        485.75   5.424     62
        484.31   5.408    138
        483.81   5.403    114
        482.44   5.387    213
        481.06   5.372    102
        474.56   5.299     87
        473.38   5.286    187
        472.63   5.278     82
        472.19   5.273    111
        471.56   5.266    124
        470.44   5.253     63
        468.56   5.232     49
        467.06   5.216    107
        465.25   5.195     89
        464.63   5.188     62
        463.81   5.179     70
        463.38   5.174    122
        462.69   5.167     68
        462.13   5.161     78
        461.56   5.154    115
        460.38   5.141     63
        413.94   4.622    196
        412.75   4.609    310
        411.38   4.594    199
        408.44   4.561    169
        407.13   4.546    311
        405.75   4.531    191
        204.00   2.278     45
        203.50   2.273     42
        201.38   2.249     94
        200.81   2.243    114
        200.06   2.234    104
        198.00   2.211    314
        196.38   2.193    322
        194.13   2.168    105
        190.19   2.124     43
        189.81   2.120     40
        189.31   2.114     36
        188.63   2.107     58
        183.38   2.048     41
        182.69   2.040     33
         89.63   1.001   1000
         88.38   0.987    359
         86.75   0.969    244
         86.00   0.961    221
         84.25   0.941    287
         83.06   0.928    826
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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