1470-50-4

2-辛烯酸(1470-50-4)質譜(MS)

產品名稱:2-辛烯酸

CAS:1470-50-4

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)

InChIKey: CWMPPVPFLSZGCY-UHFFFAOYSA-N

Smiles:C(O)(=O)C=CCCCCC

Mass

MS-NW-1302          
2-octenoic acid
C8H14O2             (Mass of molecular ion:    142)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.0
      18.0       2.6
      26.0       2.9
      27.0      40.1
      28.0       3.9
      29.0      83.0
      30.0       2.0
      31.0       2.8
      38.0       2.7
      39.0      39.2
      40.0       9.2
      41.0      95.9
      42.0      51.3
      43.0      24.2
      44.0       1.9
      45.0       9.3
      50.0       1.8
      51.0       3.8
      52.0       2.0
      53.0      13.7
      54.0       9.2
      55.0      71.3
      56.0      30.7
      57.0      25.8
      58.0       4.9
      59.0       1.3
      60.0       7.0
      61.0       1.4
      65.0       2.3
      66.0       1.9
      67.0      19.9
      68.0      22.2
      69.0      10.9
      70.0      72.9
      71.0      11.0
      72.0       1.6
      73.0     100.0
      74.0       7.5
      77.0       1.2
      79.0       1.4
      80.0       1.5
      81.0      10.4
      82.0      44.8
      83.0      16.4
      84.0       1.4
      85.0       2.8
      86.0      37.6
      87.0      17.5
      88.0       1.9
      95.0       5.9
      96.0      21.4
      97.0       3.3
      99.0      35.9
     100.0      14.8
     101.0       3.3
     109.0       1.6
     113.0       6.8
     114.0       1.7
     124.0      15.8
     125.0       3.1
     127.0       2.1
     142.0       1.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
2-octenoic acid

    Assign.     Shift(ppm)

      A            11.1
      B             7.09
      C             5.829
      D             2.24
      E             1.47
      F          1.45 to 1.16
      G             0.90
     
     J(B,C)=15.6HZ
     J(C,D)=-1.5HZ

     Hz     ppm     Int.

    988.99  11.043     81
    643.60   7.187    300
    636.68   7.109    147
    634.89   7.089    165
    627.97   7.012    392
    621.04   6.935    189
    530.55   5.924    215
    529.02   5.907    534
    527.48   5.890    236
    514.92   5.750    173
    513.38   5.733    426
    511.84   5.716    179
    209.95   2.345     65
    209.09   2.335     61
    208.75   2.331     59
    207.98   2.323     60
    207.64   2.319     60
    206.70   2.308     67
    203.37   2.271    203
    202.94   2.266    203
    202.60   2.263    201
    196.88   2.199    253
    195.68   2.185    234
    192.52   2.150     65
    190.04   2.122    117
    188.84   2.109    101
    146.46   1.636     42
    146.03   1.631     44
    142.36   1.590     48
    141.85   1.584     55
    141.59   1.581     55
    139.28   1.556    116
    136.63   1.526     92
    136.21   1.521     94
    131.08   1.464    209
    125.70   1.404    283
    122.28   1.366    636
    121.25   1.354    664
    119.89   1.339    618
    118.26   1.321    498
    116.38   1.300    424
    114.25   1.276    267
    112.11   1.252    210
    110.74   1.237    186
    110.31   1.232    185
    108.61   1.213    153
    105.36   1.177     59
    103.99   1.162     43
    103.56   1.157     43
    102.11   1.141     43
     90.23   1.008     47
     85.62   0.957    295
     80.15   0.895   1000
     74.08   0.828    194
     70.32   0.786     71

CCl4 solution