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76649-16-6

反式-4-癸烯酸乙酯(76649-16-6)質(zhì)譜(MS)

產(chǎn)品名稱:反式-4-癸烯酸乙酯

CAS:76649-16-6

分子式:C12H22O2

分子量: 198.3

InChI:InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+

InChIKey: AWNIQMQADACLCJ-CMDGGOBGSA-N

Smiles:C(OCC)(=O)CC/C=C/CCCCC

  • 圖譜
    Mass

    MS-NW-9455          
    ethyl trans-4-decenoate
    C12H22O2            (Mass of molecular ion:    198)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          18.0       1.2
          27.0      12.6
          28.0       2.4
          29.0      43.0
          30.0       1.0
          31.0       1.2
          39.0      14.1
          40.0       3.1
          41.0      56.9
          42.0      12.4
          43.0      33.9
          44.0       1.7
          45.0      11.4
          51.0       1.4
          52.0       1.1
          53.0      11.1
          54.0      42.0
          55.0      84.3
          56.0      15.3
          57.0      22.8
          58.0       3.0
          59.0       2.3
          60.0      33.3
          61.0      38.0
          62.0       1.1
          65.0       4.1
          66.0       3.2
          67.0      53.8
          68.0      42.4
          69.0      96.6
          70.0      57.4
          71.0      48.1
          72.0       3.0
          73.0      14.3
          74.0       2.4
          77.0       2.8
          79.0      10.2
          80.0       4.4
          81.0      46.8
          82.0      27.6
          83.0      24.6
          84.0      54.5
          85.0      12.7
          86.0       1.9
          87.0       4.6
          88.0     100.0
          89.0       9.0
          91.0       2.0
          93.0       5.4
          94.0       3.4
          95.0      24.5
          96.0      50.4
          97.0      23.2
          98.0       7.3
          99.0      16.5
         100.0       3.3
         101.0      23.0
         102.0       3.0
         105.0       1.8
         107.0       6.7
         108.0       6.3
         109.0      31.9
         110.0      97.7
         111.0      23.8
         112.0       2.2
         113.0       8.9
         114.0       2.9
         115.0       4.8
         116.0       1.7
         119.0       1.6
         123.0      18.6
         124.0      13.2
         125.0       2.2
         127.0       6.3
         128.0       5.1
         129.0       2.3
         130.0       1.3
         133.0       3.3
         134.0       5.7
         135.0      28.3
         136.0       3.2
         137.0       3.0
         141.0       5.8
         142.0       3.2
         143.0       1.3
         151.0       2.5
         152.0      53.4
         153.0      14.3
         154.0       1.4
         155.0       4.7
         156.0       1.1
         169.0       1.8
         198.0       7.4
         199.0       4.4
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C12 H22 O2 0.05 ml : 0.5 ml CDCl3
    ethyl trans-4-decenoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.45 B 5.40 C 4.124 D 2.35 E 2.31 F 1.965 G 1.33 to 1.26 J 1.251 K 0.879

         Hz     ppm     Int.
    

       2192.14   5.486     45
       2183.23   5.463     59
       2176.88   5.447    139
       2170.78   5.432     98
       2167.24   5.423     85
       2161.50   5.409    123
       2156.25   5.396     48
       2155.52   5.394     49
       2146.24   5.371     42
       1659.42   4.153    165
       1654.79   4.141     34
       1652.22   4.135    464
       1647.58   4.123     33
       1645.14   4.117    461
       1637.94   4.099    171
        949.71   2.377     57
        946.53   2.369     77
        944.95   2.365     38
        943.48   2.361     54
        939.94   2.352    221
        934.45   2.339    253
        933.72   2.337    248
        929.57   2.326    120
        928.83   2.325    131
        926.88   2.320     67
        923.46   2.311    185
        918.21   2.298     93
        917.24   2.296    118
        913.45   2.286     48
        910.89   2.280     34
        795.78   1.992     55
        789.31   1.976    146
        782.23   1.958    153
        775.76   1.942     68
        540.41   1.353     85
        533.45   1.335    138
        532.84   1.334    139
        530.27   1.327     98
        529.79   1.326     99
        528.56   1.323    101
        526.86   1.319    150
        522.95   1.309    124
        521.12   1.304    137
        519.29   1.300    132
        517.58   1.296    103
        516.36   1.293    117
        514.16   1.287    157
        512.08   1.282    142
        508.79   1.274    220
        506.84   1.269    654
        504.27   1.262    182
        503.30   1.260    173
        501.71   1.256    189
        499.63   1.251   1000
        497.07   1.244    170
        494.51   1.238     94
        492.55   1.233    579
        486.08   1.217     74
        358.40   0.897    273
        351.56   0.880    623
        344.36   0.862    295
    

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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