7493-72-3

壬酸-2-丙烯酯(7493-72-3)質(zhì)譜(MS)

產(chǎn)品名稱:壬酸-2-丙烯酯

CAS:7493-72-3

分子式:C12H22O2

分子量: 198.3

InChI:InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3

InChIKey: MFLWLDDOGSNSKO-UHFFFAOYSA-N

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

Mass

MS-NW-5737          
allyl nonanoate
C12H22O2            (Mass of molecular ion:    198)

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

      15.0       1.5
      26.0       1.3
      27.0      16.1
      28.0       4.3
      29.0      28.1
      31.0       1.2
      39.0      18.8
      40.0       4.0
      41.0     100.0
      42.0      11.8
      43.0      66.7
      44.0       2.0
      45.0       2.4
      53.0       2.6
      54.0      14.0
      55.0      47.8
      56.0      15.4
      57.0      75.6
      58.0      13.4
      59.0       4.0
      60.0       2.3
      67.0       9.0
      68.0       3.2
      69.0      26.8
      70.0       3.7
      71.0      47.5
      72.0       3.5
      73.0       4.2
      74.0       1.6
      79.0       1.4
      81.0      12.7
      82.0       6.6
      83.0       7.7
      84.0       5.6
      85.0       5.0
      87.0       2.4
      93.0       1.6
      95.0       5.6
      96.0       1.8
      97.0      16.6
      98.0       3.9
      99.0       5.2
     100.0      47.7
     101.0       6.9
     109.0       1.2
     111.0       2.9
     112.0       1.5
     113.0      21.5
     114.0       2.0
     115.0       1.4
     121.0       3.5
     123.0       4.3
     127.0       5.6
     139.0       5.8
     141.0      63.3
     142.0       6.0
     155.0       3.7
     169.0       3.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₂₂ O₂	0.04 ml : 0.5 ml CDCl₃
allyl nonanoate

    Assign.     Shift(ppm)

      A             5.91
      B             5.31
      C             5.23
      D             4.574
      E             2.32
      F             1.64
      G          1.44 to 1.16
      J             0.89

     Hz     ppm     Int.

    551.06   6.153     46
    545.44   6.091     85
    541.00   6.041     56
    539.94   6.029     56
    535.38   5.978    102
    533.88   5.962     81
    530.00   5.918     67
    528.13   5.897    134
    523.81   5.849    103
    522.75   5.837     99
    518.13   5.786    176
    512.81   5.726    129
    485.38   5.420     77
    483.88   5.403    188
    483.44   5.398    152
    482.06   5.383    295
    480.63   5.367    137
    474.50   5.299    112
    473.31   5.285    247
    472.56   5.277    105
    472.06   5.271    146
    471.44   5.264    167
    470.31   5.252     85
    468.13   5.227     66
    466.63   5.211    141
    464.81   5.190    136
    463.31   5.174    187
    462.63   5.166     94
    462.00   5.159    105
    461.44   5.153    163
    460.25   5.140     88
    413.56   4.618    252
    412.38   4.605    407
    411.00   4.590    259
    408.06   4.557    217
    406.81   4.543    396
    405.44   4.528    241
    216.63   2.419    107
    215.63   2.408    102
    211.63   2.363     37
    209.00   2.334    274
    201.88   2.255    203
    201.31   2.248    236
    146.31   1.634     93
    115.13   1.286   1000
     83.81   0.936    140
     78.69   0.879    475
     72.69   0.812     91

in CDCl3