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301-00-8

亚麻酸甲酯(301-00-8)质谱(MS)

产品名称:亚麻酸甲酯

CAS:301-00-8

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

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    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

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

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liquid film

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