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

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

¹H NMR	89.56 MHz
C₈ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
allyl isovalerate

    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