112-63-0

亚油酸甲酯(112-63-0)质谱(MS)

分子式:C19H34O2

分子量: 294.47

InChI:InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-

InChIKey: WTTJVINHCBCLGX-NQLNTKRDSA-N

Smiles:C(OC)(=O)CCCCCCC/C=C\C/C=C\CCCCC

Mass

MS-NW-1508          
methyl linoleate
C19H34O2            (Mass of molecular ion:    294)

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

      15.0       7.0
      18.0       3.8
      27.0       9.1
      28.0       4.4
      29.0      20.2
      31.0       1.1
      32.0       1.2
      39.0       9.8
      40.0       1.8
      41.0      55.5
      42.0       5.0
      43.0      17.9
      44.0       1.2
      45.0       1.8
      51.0       1.1
      52.0       1.0
      53.0       9.5
      54.0      45.1
      55.0      60.3
      56.0       6.0
      57.0       7.2
      59.0      10.3
      65.0       4.6
      66.0       5.7
      67.0     100.0
      68.0      48.1
      69.0      34.3
      70.0       3.5
      71.0       3.1
      73.0       2.7
      74.0      12.3
      75.0       1.5
      77.0       8.9
      78.0       3.1
      79.0      26.7
      80.0      18.9
      81.0      87.2
      82.0      47.8
      83.0      19.6
      84.0       4.5
      85.0       4.2
      87.0       8.6
      91.0       7.5
      92.0       1.9
      93.0      13.2
      94.0      12.7
      95.0      56.8
      96.0      36.6
      97.0      12.7
      98.0       3.7
      99.0       2.0
     101.0       2.3
     105.0       2.6
     106.0       1.6
     107.0       8.5
     108.0       8.8
     109.0      26.2
     110.0      21.3
     111.0       6.2
     115.0       3.4
     119.0       2.1
     120.0       2.1
     121.0       8.5
     122.0       7.9
     123.0      13.1
     124.0      11.1
     125.0       3.2
     127.0       1.3
     129.0       2.4
     131.0       1.7
     133.0       2.7
     134.0       1.3
     135.0       7.4
     136.0       8.5
     137.0       7.5
     138.0       6.1
     139.0       1.8
     140.0       1.2
     141.0       1.9
     143.0       1.4
     145.0       1.0
     147.0       1.7
     149.0       6.3
     150.0       9.4
     151.0       5.3
     152.0       3.2
     153.0       1.5
     154.0       1.2
     159.0       1.0
     163.0       3.8
     164.0       7.1
     165.0       2.9
     166.0       1.8
     167.0       1.0
     168.0       1.1
     173.0       1.4
     177.0       2.2
     178.0       3.9
     179.0       1.7
     180.0       1.0
     181.0       1.1
     191.0       1.3
     192.0       1.5
     196.0       1.0
     220.0       2.6
     234.0       1.1
     262.0       5.3
     263.0       8.8
     264.0       2.3
     294.0      12.3
     295.0       2.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₉ H₃₄ O₂	9.7 mol% in CDCl₃
methyl linoleate

    Assign.     Shift(ppm)

      A             0.89
      B          1.10 to 1.49
      C             1.61
      D          1.87 to 2.17
      E             2.28
      F             2.77
      G             3.649
      J          5.26 to 5.43

     Hz     ppm     Int.

    484.63   5.412     46
    483.81   5.403     51
    482.00   5.382     69
    480.94   5.371     42
    480.44   5.365     40
    479.00   5.349    113
    478.19   5.340    166
    476.19   5.317     68
    475.31   5.308     57
    474.81   5.302     48
    472.63   5.278     73
    326.81   3.650   1000
    247.56   2.765     45
    213.50   2.384     33
    212.31   2.371     34
    205.81   2.299    100
    198.13   2.213     88
    180.19   2.012     65
    144.25   1.611     34
    117.50   1.312    408
    112.88   1.261    657
     79.69   0.890    137

in CDCl3