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60-33-3

亚油酸(60-33-3)核磁图(1HNMR)

产品名称:亚油酸

CAS:60-33-3

分子式:C18H32O2

分子量: 280.45

InChI:InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-

InChIKey: OYHQOLUKZRVURQ-HZJYTTRNSA-N

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

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    Mass

    MS-NW-0623          
    cis,cis-9,12-octadecadienoic acid
    C18H32O2            (Mass of molecular ion:    280)
    

       Source Temperature: 160 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          18.0       1.2
          27.0      11.1
          28.0       2.5
          29.0      21.0
          31.0       1.1
          39.0      10.7
          40.0       1.9
          41.0      54.2
          42.0       5.2
          43.0      19.3
          45.0       3.8
          51.0       1.1
          53.0       9.1
          54.0      45.0
          55.0      59.6
          56.0       7.4
          57.0       9.5
          59.0       1.8
          60.0       6.0
          65.0       4.3
          66.0       6.7
          67.0     100.0
          68.0      60.3
          69.0      36.0
          70.0       6.0
          71.0       4.5
          73.0       5.5
          77.0       7.4
          78.0       2.6
          79.0      22.7
          80.0      17.7
          81.0      87.9
          82.0      73.1
          83.0      23.7
          84.0       5.8
          85.0       3.3
          87.0       2.3
          91.0       6.1
          92.0       1.4
          93.0      10.5
          94.0      11.7
          95.0      62.8
          96.0      54.8
          97.0      16.2
          98.0       5.0
          99.0       1.7
         101.0       2.7
         105.0       2.0
         106.0       1.2
         107.0       6.3
         108.0       9.0
         109.0      29.5
         110.0      32.2
         111.0       7.7
         112.0       1.8
         113.0       1.7
         114.0       1.7
         115.0       1.6
         119.0       1.6
         120.0       1.2
         121.0       5.9
         122.0       7.8
         123.0      14.1
         124.0      16.9
         125.0       3.5
         126.0       2.7
         127.0       2.6
         129.0       1.4
         131.0       1.1
         133.0       2.0
         134.0       1.0
         135.0       5.0
         136.0       6.9
         137.0       8.9
         138.0       8.8
         139.0       2.1
         140.0       3.5
         141.0       1.3
         147.0       1.3
         149.0       4.0
         150.0       5.9
         151.0       5.7
         152.0       3.8
         153.0       2.3
         154.0       3.2
         163.0       1.9
         164.0       3.0
         165.0       2.8
         166.0       1.9
         167.0       2.9
         168.0       4.0
         177.0       1.1
         178.0       1.5
         179.0       1.6
         180.0       1.2
         181.0       2.6
         182.0       5.0
         195.0       2.4
         196.0       3.7
         209.0       2.1
         210.0       2.2
         220.0       1.7
         223.0       1.7
         224.0       1.0
         262.0       1.2
         264.0       2.7
         280.0      35.5
         281.0       7.2
         282.0       1.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C18 H32 O2 0.04 ml : 0.5 ml CDCl3
    cis,cis-9,12-octadecadienoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.0 B 5.58 to 5.12 C 2.764 D 2.33 E 2.03 F 1.63 G 1.10 to 1.53 J 0.90

         Hz     ppm     Int.
    

        485.50   5.421    136
        484.63   5.412    123
        482.75   5.391    171
        481.75   5.380    103
        479.00   5.349    422
        477.00   5.327    156
        476.13   5.317    152
        473.50   5.287    174
        247.88   2.768    134
        217.88   2.433     62
        216.75   2.421     67
        210.25   2.348    183
        202.63   2.263    151
        180.75   2.019    166
        146.38   1.635     70
        135.88   1.518     64
        118.63   1.325   1000
         87.00   0.972     75
         85.88   0.959     98
         85.13   0.951    112
         84.38   0.943     94
         82.38   0.920     92
         79.63   0.890    364
         76.75   0.857     72
         73.63   0.823     71
         72.88   0.814     73
         72.13   0.806     68
    

CCl4 solution

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liquid film

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4880 A,200 M,liquid

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