301-00-8

亞麻酸甲酯(301-00-8)紅外圖譜(IR2)

分子式:C19H32O2

分子量: 292.46

InChI:InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-

InChIKey: DVWSXZIHSUZZKJ-YSTUJMKBSA-N

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

Mass

MS-NW-1715          
methyl cis,cis,cis-9,12,15-octadecatrienoate
C19H32O2            (Mass of molecular ion:    292)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       7.9
      17.0       1.0
      18.0       4.7
      27.0       9.8
      28.0       3.1
      29.0      17.8
      31.0       1.2
      39.0      12.8
      40.0       2.3
      41.0      66.5
      42.0       5.3
      43.0      19.3
      44.0       2.1
      45.0       3.1
      51.0       2.0
      52.0       1.6
      53.0      12.7
      54.0      23.0
      55.0      61.1
      56.0       4.5
      57.0       7.0
      58.0       1.1
      59.0      12.0
      65.0       7.1
      66.0      10.9
      67.0      93.8
      68.0      30.1
      69.0      29.6
      70.0       2.5
      71.0       3.2
      73.0       3.2
      74.0      13.3
      75.0       1.6
      77.0      18.7
      78.0      12.4
      79.0     100.0
      80.0      51.6
      81.0      71.1
      82.0      29.1
      83.0      14.6
      84.0       3.0
      85.0       4.1
      87.0      15.9
      88.0       1.5
      91.0      23.5
      92.0       5.8
      93.0      54.4
      94.0      31.5
      95.0      83.8
      96.0      23.5
      97.0       9.6
      98.0       2.7
      99.0       2.2
     101.0       3.5
     103.0       1.0
     105.0      10.0
     106.0       4.4
     107.0      27.5
     108.0      54.8
     109.0      24.5
     110.0      11.1
     111.0       4.5
     115.0       3.8
     117.0       2.9
     119.0       5.6
     120.0       3.6
     121.0      23.8
     122.0      16.4
     123.0      10.2
     124.0       5.2
     125.0       2.5
     127.0       1.2
     129.0       3.7
     131.0       3.5
     133.0       4.5
     134.0       2.5
     135.0      19.7
     136.0      13.6
     137.0       5.7
     138.0       2.9
     139.0       1.5
     141.0       1.8
     143.0       2.3
     145.0       1.6
     147.0       3.9
     148.0       1.7
     149.0      15.0
     150.0       9.1
     151.0       3.3
     152.0       1.5
     153.0       1.0
     157.0       1.1
     159.0       1.0
     161.0       1.9
     162.0       1.2
     163.0       6.0
     164.0       6.1
     165.0       2.0
     168.0       1.0
     173.0       4.1
     175.0       1.8
     177.0       2.4
     178.0       3.4
     179.0       1.2
     181.0       1.1
     189.0       1.0
     191.0       4.0
     192.0       1.8
     217.0       1.2
     220.0       1.2
     223.0       3.7
     224.0       1.5
     236.0       8.1
     237.0       2.3
     238.0       1.1
     249.0       1.7
     261.0       6.1
     262.0       3.5
     263.0       6.4
     264.0       1.7
     292.0      18.3
     293.0       4.1
     294.0       8.8
     295.0       1.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₉ H₃₂ O₂	9.7 mol% in CDCl₃
methyl cis,cis,cis-9,12,15-octadecatrienoate

    Assign.     Shift(ppm)

      A             0.967
      B          1.15 to 1.49
      C             1.61
      D          1.89 to 2.19
      E             2.28
      F             2.80
      G             3.648
      J             5.35

     Hz     ppm     Int.

    485.25   5.419     83
    484.81   5.414     84
    483.81   5.403     83
    482.94   5.393     75
    481.38   5.375    110
    479.13   5.350    221
    478.19   5.340    109
    477.50   5.332    115
    475.81   5.313    111
    474.81   5.302     79
    473.63   5.289     89
    471.94   5.270     43
    326.69   3.648   1000
    256.25   2.862     47
    255.56   2.854     47
    254.56   2.843     37
    254.25   2.839     38
    250.81   2.801    100
    247.38   2.763     50
    245.81   2.745     60
    245.44   2.741     62
    213.56   2.385     42
    212.44   2.373     39
    206.00   2.301    111
    198.81   2.220     89
    198.38   2.216     90
    192.81   2.153     44
    192.38   2.149     41
    190.19   2.124     32
    189.69   2.119     34
    188.50   2.105     42
    186.50   2.083     70
    185.63   2.073     70
    185.00   2.066     78
    184.13   2.056     58
    183.38   2.048     53
    181.63   2.029     57
    181.06   2.022     60
    179.81   2.008     62
    179.25   2.002     61
    178.69   1.996     58
    177.94   1.987     50
    144.25   1.611     36
    117.81   1.316    345
     94.19   1.052    120
     87.00   0.972    248
     86.50   0.966    187
     79.75   0.891     81
     79.25   0.885    116
     78.56   0.878     77

CCl4 solution