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463-40-1

α-亚麻酸(463-40-1)核磁图(13CNMR)

产品名称:α-亚麻酸

CAS:463-40-1

分子式:C18H30O2

分子量: 278.43

InChI:InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-

InChIKey: DTOSIQBPPRVQHS-PDBXOOCHSA-N

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

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    Mass

    MS-NW-5578          
    cis,cis,cis-9,12,15-octadecatrienoic acid
    C18H30O2            (Mass of molecular ion:    278)
    

       Source Temperature: 190 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          26.0       1.0
          27.0      27.3
          28.0       5.2
          29.0      34.6
          30.0       1.0
          31.0       2.9
          39.0      29.8
          40.0       5.1
          41.0     100.0
          42.0       7.3
          43.0      19.7
          45.0       8.7
          51.0       4.5
          52.0       3.4
          53.0      19.6
          54.0      18.6
          55.0      61.7
          56.0       4.4
          57.0       5.7
          59.0       2.9
          60.0      11.6
          63.0       1.4
          65.0      11.2
          66.0      11.2
          67.0      73.1
          68.0      18.6
          69.0      21.6
          70.0       1.8
          71.0       2.5
          73.0       7.5
          77.0      24.1
          78.0      11.6
          79.0      78.1
          80.0      36.6
          81.0      38.4
          82.0      17.6
          83.0       7.6
          84.0       1.2
          85.0       1.6
          87.0       2.2
          91.0      23.0
          92.0       5.6
          93.0      33.9
          94.0      16.2
          95.0      35.9
          96.0      11.0
          97.0       3.7
         101.0       1.4
         103.0       1.2
         105.0       6.6
         106.0       2.6
         107.0      12.6
         108.0      26.4
         109.0       9.6
         110.0       4.6
         111.0       1.5
         115.0       1.5
         117.0       2.0
         119.0       2.8
         120.0       1.4
         121.0       9.3
         122.0       6.1
         123.0       3.1
         124.0       2.1
         131.0       1.4
         133.0       1.5
         135.0       6.4
         136.0       4.4
         137.0       1.7
         138.0       1.0
         147.0       1.0
         149.0       3.7
         150.0       2.0
         163.0       1.1
         209.0       1.8
         222.0       4.4
         278.0       5.9
         279.0       1.2
         280.0       3.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C18 H30 O2 0.04 ml : 0.5 ml CDCl3
    cis,cis,cis-9,12,15-octadecatrienoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.9 B 5.54 to 5.17 C 2.801 D 2.33 E 2.13 to 1.95 F 1.64 G 1.48 to 1.26 J 0.973

         Hz     ppm     Int.
    

        485.86   5.425    229
        484.84   5.414    208
        480.40   5.365    594
        476.81   5.324    304
        475.70   5.312    251
        474.84   5.302    244
        251.31   2.807    312
        210.29   2.349    211
        203.20   2.269    168
        185.42   2.071    228
        146.20   1.633     93
        118.86   1.328   1000
         94.59   1.057    284
         90.92   1.016     31
         87.33   0.976    542
         83.65   0.935     49
         82.71   0.924     45
         79.64   0.890    266
         76.14   0.851     28
         75.37   0.842     26
    

in CDCl3

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liquid film

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