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网站主页CAS数据库列表 7367-78-4更多图谱山梨酸丁酯(7367-78-4)核磁图(1HNMR)

山梨酸丁酯

产品名称 山梨酸丁酯

CAS号7367-78-4

分子式C10H16O2

分子量168.23

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  • Mass

    MS-NW-5794          
    butyl trans,trans-2,4-hexadienoate
    C10H16O2            (Mass of molecular ion:    168)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       1.7
          26.0       2.0
          27.0      15.5
          28.0       3.5
          29.0      25.8
          31.0       1.2
          38.0       2.9
          39.0      32.1
          40.0       6.8
          41.0      63.3
          42.0       3.1
          43.0       7.4
          50.0       1.3
          51.0       3.3
          52.0       2.1
          53.0       2.3
          55.0       6.0
          56.0       7.2
          57.0       8.8
          63.0       1.9
          65.0      11.1
          66.0      15.9
          67.0      92.4
          68.0      11.3
          69.0       2.8
          70.0       1.2
          71.0       1.4
          81.0       2.4
          82.0       1.4
          83.0       1.6
          84.0       4.7
          93.0       1.7
          94.0       2.6
          95.0     100.0
          96.0       7.5
          97.0      91.6
          98.0       5.6
          99.0       1.0
         111.0       4.6
         112.0      51.2
         113.0      16.2
         114.0      10.6
         123.0       1.1
         139.0       1.0
         153.0       2.1
         168.0      15.8
         169.0       2.0
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C10 H16 O2 0.05 ml : 0.5 ml CDCl3
    butyl trans,trans-2,4-hexadienoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.248 B 6.19 C 6.13 D 5.777 E 4.140 F 1.850 G 1.642 J 1.401 K 0.943

         Hz     ppm     Int.
    

       2909.30   7.280    135
       2900.27   7.258     61
       2899.17   7.255    110
       2893.92   7.242    160
       2884.64   7.218     69
       2883.67   7.216    112
       2489.38   6.229     37
       2488.77   6.228     40
       2488.28   6.227     36
       2487.67   6.225     34
       2479.13   6.204     34
       2478.64   6.203     39
       2475.59   6.195     35
       2474.37   6.192     90
       2473.63   6.190    101
       2473.14   6.189    107
       2472.53   6.187    109
       2465.58   6.170     51
       2463.50   6.165    230
       2460.21   6.156     97
       2459.59   6.155    160
       2453.86   6.141    151
       2453.25   6.139    149
       2447.39   6.124     41
       2444.46   6.117     35
       2438.84   6.103     51
       2438.23   6.101     52
       2316.77   5.797    103
       2316.16   5.796    175
       2315.43   5.794    174
       2314.82   5.793    106
       2301.39   5.759     99
       2300.78   5.757    151
       2300.17   5.756    161
       1661.25   4.157    322
       1654.54   4.140    613
       1647.83   4.124    313
        746.83   1.869     36
        742.43   1.858    430
        741.70   1.856    421
        736.08   1.842    474
        671.39   1.680     62
        664.92   1.664    153
        664.18   1.662    155
        661.62   1.656     67
        658.33   1.648    166
        657.47   1.646    194
        656.37   1.643    116
        654.91   1.639    119
        651.61   1.631     78
        649.66   1.626    168
        642.94   1.609     87
        579.35   1.450     49
        573.73   1.436     38
        571.90   1.432    133
        566.28   1.417     84
        564.21   1.412    182
        558.84   1.399     90
        556.64   1.393    197
        551.51   1.380     53
        549.44   1.375    137
        541.99   1.357     52
        387.33   0.970     55
        383.91   0.961    518
        376.46   0.942   1000
        369.14   0.924    437
        365.60   0.915     58
    


  • 1H NMR 89.56 MHz
    C10 H16 O2 0.04 ml : 0.5 ml CDCl3
    butyl trans,trans-2,4-hexadienoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.24 B 6.20 C 6.13 D 5.775 E 4.138 F 1.85 G 1.63 J 1.30 K 0.95 CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        662.31   7.396     99
        661.88   7.391     96
        659.38   7.363     96
        657.31   7.340     88
        657.00   7.336     97
        654.06   7.304     89
        652.13   7.282    190
        651.63   7.276    132
        646.94   7.224    131
        646.50   7.219    125
        644.38   7.195    113
        642.19   7.171    124
        641.50   7.163    105
        638.38   7.128    114
        636.69   7.110    179
        636.31   7.105    155
        570.81   6.374     78
        557.75   6.228    174
        555.81   6.207    573
        554.63   6.193    280
        550.69   6.149    261
        549.56   6.137    440
        547.63   6.115    494
        543.31   6.067     82
        524.94   5.862    185
        524.50   5.857    276
        524.00   5.851    358
        523.13   5.842    141
        509.19   5.686    294
        508.44   5.678    231
        377.31   4.213    330
        376.31   4.202    152
        375.06   4.188     71
        372.63   4.161     89
        370.81   4.141    928
        364.31   4.068    453
        168.56   1.883    649
        168.19   1.878    586
        167.88   1.875    614
        167.50   1.871    685
        166.63   1.861    212
        165.38   1.847    507
        164.31   1.835    253
        163.44   1.825    748
        163.00   1.821    771
        162.25   1.812    514
        160.94   1.798    112
        157.25   1.756     69
        156.50   1.748     69
        156.19   1.744     70
        154.63   1.727    127
        152.50   1.703    104
        150.56   1.682     87
        148.00   1.653    225
        146.88   1.641    166
        145.75   1.628    177
        142.63   1.593    193
        141.44   1.580    281
        140.31   1.567    196
        139.06   1.553    192
        136.50   1.525    198
        135.81   1.517    214
        135.31   1.511    266
        134.63   1.504    190
        132.44   1.479     64
        130.94   1.463    143
        130.13   1.453    136
        129.25   1.444    224
        127.50   1.424    215
        126.31   1.411     63
        125.25   1.399     70
        123.63   1.381    157
        122.13   1.364     93
        120.75   1.349    200
        119.63   1.336     78
        119.00   1.329     92
        117.31   1.310     82
        114.38   1.278    166
        112.94   1.262     81
        107.81   1.204     80
         91.81   1.026    325
         90.69   1.013    496
         90.00   1.005    461
         89.25   0.997    205
         87.63   0.979     83
         85.81   0.959     74
         84.25   0.941   1000
         82.75   0.924    357
         82.19   0.918    241
         81.06   0.906    135
         80.19   0.896     88
         79.63   0.890     76
         78.88   0.881    112
         78.13   0.873    173
         76.75   0.857    246
         75.81   0.847     63
         74.88   0.837    109
         74.50   0.832     99
    

in CDCl3



liquid film



4880 A,200 M,liquid