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112-63-0

亚油酸甲酯(112-63-0)Raman光谱

产品名称:亚油酸甲酯

CAS:112-63-0

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

  • 图谱
    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

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

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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