6321-45-5

戊酸烯丙酯(6321-45-5)Raman光谱

产品名称:戊酸烯丙酯

CAS:6321-45-5

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3

InChIKey: PWYXVVREDGESBB-UHFFFAOYSA-N

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

Mass

MS-NW-5725          
allyl valerate
C8H14O2             (Mass of molecular ion:    142)

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

      15.0       1.9
      26.0       2.3
      27.0      14.5
      28.0       5.9
      29.0      35.2
      30.0       1.3
      31.0       2.1
      38.0       1.3
      39.0      18.0
      40.0       3.1
      41.0      72.2
      42.0       4.1
      43.0       8.3
      44.0       1.1
      45.0       1.6
      54.0       4.1
      55.0      18.4
      56.0       6.1
      57.0      92.2
      58.0       6.2
      59.0       5.5
      60.0       4.8
      73.0       2.7
      82.0       1.9
      83.0       5.4
      84.0       1.5
      85.0     100.0
      86.0       6.0
      99.0       1.3
     100.0      15.5
     101.0       2.3
     103.0       2.4
     113.0       2.7

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             5.91
      B             5.32
      C             5.23
      D             4.576
      E             2.34
      F             1.62
      G             1.36
      J             0.93
     
     J(A,B)=17.3HZ. J(A,C)=10.0HZ. J(A,D)=5.5HZ.

     Hz     ppm     Int.

    551.23   6.155     57
    545.59   6.092    106
    541.15   6.043     77
    540.12   6.031     64
    535.60   5.981    131
    534.06   5.964     99
    530.21   5.921     78
    528.33   5.900    176
    523.97   5.851    128
    522.95   5.840    115
    518.33   5.788    232
    512.95   5.728    151
    485.44   5.421    101
    484.07   5.405    244
    483.73   5.402    247
    482.19   5.384    363
    480.82   5.369    169
    474.58   5.300    148
    473.47   5.287    295
    472.28   5.274    215
    471.68   5.267    212
    470.48   5.254    110
    468.35   5.230     82
    466.81   5.213    176
    465.01   5.193    208
    463.39   5.175    241
    461.60   5.155    194
    460.40   5.141    100
    413.75   4.620    373
    412.46   4.606    625
    411.18   4.592    363
    408.19   4.558    336
    406.99   4.545    587
    405.63   4.530    327
    217.47   2.429    199
    216.53   2.418    204
    213.45   2.384     50
    209.95   2.345    513
    206.27   2.304     57
    205.93   2.300     55
    202.43   2.261    405
    161.41   1.803     52
    160.39   1.791     71
    153.98   1.720    190
    151.42   1.691    150
    149.28   1.667     79
    147.14   1.643    204
    145.86   1.629    212
    145.52   1.625    212
    144.07   1.609    161
    139.03   1.553    273
    135.69   1.516    143
    131.85   1.473    236
    128.60   1.436     77
    125.18   1.398    196
    123.82   1.383    189
    121.77   1.360     89
    119.46   1.334    169
    117.07   1.308    214
    113.56   1.268     81
    110.66   1.236    187
    104.08   1.163     89
     88.61   0.990    552
     84.85   0.948     66
     82.29   0.919   1000
     76.14   0.851    176
     74.77   0.835    220
     72.97   0.815    111

in CDCl3