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111-62-6

油酸乙酯(111-62-6)质谱(MS)

产品名称:油酸乙酯

CAS:111-62-6

分子式:C20H38O2

分子量: 310.51

InChI:InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-

InChIKey: LVGKNOAMLMIIKO-QXMHVHEDSA-N

Smiles:C(OCC)(=O)CCCCCCC/C=C\CCCCCCCC

  • 图谱
    Mass

    MS-NW-8757          
    ethyl cis-9-octadecenoate
    C20H38O2            (Mass of molecular ion:    310)
    

       Source Temperature: 150 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       1.2
          27.0       8.8
          28.0       3.9
          29.0      35.0
          39.0       7.1
          40.0       1.5
          41.0      63.3
          42.0      11.3
          43.0      54.2
          44.0       1.9
          45.0       6.7
          53.0       6.1
          54.0      23.5
          55.0     100.0
          56.0      21.5
          57.0      34.7
          58.0       2.0
          59.0       2.4
          60.0       9.8
          61.0      11.2
          65.0       1.9
          66.0       2.2
          67.0      40.5
          68.0      25.8
          69.0      71.8
          70.0      34.0
          71.0      18.0
          72.0       1.1
          73.0      16.7
          74.0       2.0
          77.0       2.2
          78.0       1.3
          79.0      10.1
          80.0       7.5
          81.0      40.1
          82.0      26.4
          83.0      60.3
          84.0      52.9
          85.0      12.1
          86.0       1.1
          87.0       4.7
          88.0      89.6
          89.0      16.3
          90.0       1.1
          91.0       3.2
          92.0       1.1
          93.0       6.5
          94.0       8.1
          95.0      31.3
          96.0      52.8
          97.0      53.6
          98.0      46.8
          99.0       7.3
         100.0       1.3
         101.0      58.7
         102.0       5.3
         105.0       1.8
         107.0       5.3
         108.0       6.2
         109.0      19.4
         110.0      27.2
         111.0      28.0
         112.0      11.0
         113.0       3.5
         114.0       1.9
         115.0      10.5
         116.0       1.4
         119.0       4.4
         120.0       1.8
         121.0       7.2
         122.0       3.9
         123.0      19.7
         124.0      14.0
         125.0      15.2
         126.0       5.0
         127.0       4.5
         128.0       4.2
         129.0       7.7
         130.0       1.9
         133.0       4.1
         134.0       4.4
         135.0       7.0
         136.0       3.4
         137.0      12.9
         138.0      11.5
         139.0       9.4
         140.0       2.4
         141.0       6.3
         142.0       6.0
         143.0       7.3
         144.0       2.7
         147.0       3.5
         148.0       3.4
         149.0       4.9
         150.0       3.6
         151.0       9.5
         152.0      14.8
         153.0       6.8
         154.0       1.7
         155.0      15.4
         156.0       3.2
         157.0      10.5
         158.0       1.8
         161.0       2.3
         162.0       1.1
         163.0       2.8
         164.0       3.4
         165.0       6.7
         166.0      11.0
         167.0       4.5
         168.0       1.4
         169.0       5.3
         170.0       1.1
         171.0       3.6
         172.0       1.2
         175.0       1.7
         177.0       1.5
         178.0       2.0
         179.0       4.3
         180.0      19.5
         181.0       5.4
         182.0       1.4
         183.0       3.5
         185.0       3.5
         186.0       1.1
         189.0       1.0
         192.0       1.3
         193.0       3.1
         194.0       5.4
         195.0       2.0
         197.0       1.3
         199.0       3.3
         200.0       1.1
         207.0       2.8
         208.0       3.3
         209.0       1.6
         211.0       1.3
         213.0       4.1
         214.0       1.6
         220.0       7.0
         221.0       5.0
         222.0      24.3
         223.0       6.3
         224.0       1.0
         227.0       2.9
         228.0       1.8
         235.0       2.8
         236.0       6.7
         237.0       3.1
         239.0       2.3
         241.0       2.4
         242.0       1.3
         246.0       4.5
         247.0       2.0
         250.0       1.3
         255.0       1.4
         256.0       1.0
         262.0       2.4
         263.0       4.0
         264.0      62.6
         265.0      31.8
         266.0       5.4
         267.0       2.5
         282.0       2.3
         283.0       1.2
         284.0       6.2
         285.0       1.7
         298.0       1.6
         308.0       4.2
         309.0       1.6
         310.0      20.9
         311.0       9.9
         312.0       3.0
    

400 MHz in CDCl3

  • 图谱

    1H NMR 399.65 MHz
    C20 H38 O2 0.05 ml : 0.5 ml CDCl3
    ethyl cis-9-octadecenoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.344 B 4.121 C 2.283 D 2.009 E 1.616 F 1.31 G 1.27 J 1.250 K 0.881

         Hz     ppm     Int.
    

       2140.50   5.356     81
       2137.82   5.350     78
       2136.84   5.347     73
       2134.77   5.342    173
       2134.28   5.341    172
       2131.23   5.333     76
       2128.66   5.327     72
       1657.96   4.149    143
       1650.76   4.131    410
       1643.68   4.113    414
       1636.47   4.095    141
        920.17   2.303    179
        912.72   2.284    277
        905.03   2.265    194
        555.30   1.390     30
        552.49   1.383     37
        522.46   1.308    623
        515.50   1.290    343
        506.96   1.269    888
        503.17   1.260    370
        499.76   1.251   1000
        492.55   1.233    512
        489.26   1.225     54
        486.69   1.218     34
        363.16   0.909     34
        358.89   0.899    147
        355.47   0.890     94
        352.17   0.882    418
        349.61   0.875     65
        347.17   0.869     62
        345.09   0.864    154
    

in CDCl3

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liquid film

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