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网站主页CAS数据库列表 1577-18-0更多图谱反式-3-己烯酸(1577-18-0)核磁图(1HNMR)

反式-3-己烯酸

产品名称 反式-3-己烯酸

CAS号1577-18-0

分子式C6H10O2

分子量114.14

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  • Mass

    MS-NW-3273          
    trans-3-hexenoic acid
    C6H10O2             (Mass of molecular ion:    114)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       2.6
          18.0       1.6
          26.0       4.2
          27.0      31.1
          28.0       3.4
          29.0      28.9
          31.0       2.8
          37.0       2.2
          38.0       5.0
          39.0      39.3
          40.0       8.4
          41.0     100.0
          42.0      31.1
          43.0      15.1
          44.0       1.7
          45.0      12.5
          50.0       3.5
          51.0       4.7
          52.0       2.1
          53.0      16.2
          54.0      10.2
          55.0      77.2
          56.0       4.5
          57.0      21.1
          58.0       3.4
          59.0       3.4
          60.0      44.2
          61.0       1.8
          62.0       1.2
          63.0       1.4
          65.0       2.3
          66.0       1.3
          67.0      11.7
          68.0      47.5
          69.0      40.7
          70.0       3.0
          71.0       6.6
          72.0       3.1
          73.0      34.7
          74.0       1.5
          81.0       5.4
          85.0       1.6
          86.0       2.2
          95.0       1.5
          96.0       8.6
          97.0       3.3
          99.0      13.8
         105.0       1.0
         113.0       1.0
         114.0      39.1
         115.0       3.0
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C6 H10 O2 0.05 ml : 0.5 ml CDCl3
    trans-3-hexenoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.4 B 5.631 C 5.512 D 3.067 E 2.058 F 0.993 ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

       2267.15   5.673     37
       2262.27   5.661     38
       2261.05   5.658     72
       2259.83   5.655     52
       2254.94   5.643     41
       2253.27   5.639     46
       2251.89   5.635     71
       2250.67   5.632     53
       2246.86   5.623     63
       2245.64   5.620    129
       2244.57   5.617     99
       2240.75   5.607     42
       2239.53   5.604     73
       2238.46   5.602     56
       2217.25   5.548     38
       2215.88   5.545     72
       2214.51   5.542     53
       2210.54   5.532     75
       2209.17   5.528    144
       2207.64   5.524    101
       2203.83   5.515     44
       2202.30   5.511     78
       2200.62   5.507     81
       2199.10   5.503     44
       2195.28   5.494     42
       2193.76   5.490     84
       2192.23   5.486     60
       2186.89   5.473     45
       2185.36   5.469     32
       1231.69   3.082    118
       1230.47   3.079    287
       1229.25   3.076    349
       1228.18   3.074    226
       1224.82   3.065    140
       1223.60   3.062    299
       1222.38   3.059    354
       1221.47   3.057    233
        837.86   2.097     38
        836.64   2.094     45
        835.57   2.091     40
        831.60   2.081     81
        830.38   2.078    142
        829.16   2.075    147
        827.94   2.072     97
        825.50   2.066     74
        824.13   2.063    155
        822.91   2.060    228
        821.69   2.057    203
        818.02   2.047     77
        816.80   2.044    136
        815.43   2.041    170
        814.21   2.038    129
        810.55   2.029     35
        809.33   2.026     49
        808.11   2.023     50
        806.88   2.019     34
        404.36   1.012    531
        396.88   0.994   1000
        389.40   0.975    540
    


  • 1H NMR 89.56 MHz
    C6 H10 O2 0.05 ml : 0.5 ml CDCl3
    trans-3-hexenoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.32 B *1 5.61 C *1 5.53 D 3.070 E 2.06 F 0.991

         Hz     ppm     Int.
    

        923.88  10.316    227
        521.34   5.822     31
        516.28   5.765     45
        505.96   5.650    151
        501.78   5.603    290
        500.98   5.594    334
        499.07   5.573    140
        497.09   5.551    400
        493.51   5.511     53
        491.60   5.490    138
        490.65   5.479     76
        481.86   5.381     46
        476.22   5.318     36
        278.54   3.111    268
        277.44   3.098    397
        276.27   3.085    303
        275.32   3.075    166
        272.97   3.048    404
        271.80   3.035    433
        270.78   3.024    178
        267.99   2.993     34
        198.85   2.221     46
        197.68   2.208     40
        197.02   2.200     44
        196.00   2.189     36
        193.73   2.164     61
        190.58   2.128    144
        189.62   2.118    126
        185.60   2.073    137
        183.91   2.054    168
        183.11   2.045    201
        179.22   2.002    136
        178.34   1.992    137
        175.85   1.964    115
        172.27   1.924     59
        170.80   1.908     55
        170.51   1.904     55
         96.02   1.073    518
         93.38   1.043     78
         93.09   1.040     78
         88.92   0.993   1000
         84.38   0.943     89
         81.23   0.907    376
    

in CDCl3



liquid film