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网站主页CAS数据库列表 100-50-5更多图谱3-环己烯-1-甲醛(100-50-5)核磁图(1HNMR)

3-环己烯-1-甲醛

产品名称 3-环己烯-1-甲醛

CAS号100-50-5

分子式C7H10O

分子量110.15

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  • Mass

    MS-NW-3009          
    1,2,3,6-tetrahydrobenzaldehyde
    C7H10O              (Mass of molecular ion:    110)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.2
          26.0       3.0
          27.0      23.8
          28.0       2.9
          29.0       5.7
          31.0       1.5
          37.0       1.5
          38.0       3.1
          39.0      32.3
          40.0       4.3
          41.0      44.6
          42.0       2.4
          43.0       2.1
          50.0       5.8
          51.0      10.9
          52.0       5.3
          53.0      41.6
          54.0      33.7
          55.0      12.1
          56.0       1.1
          57.0       1.5
          63.0       1.6
          65.0       7.7
          66.0      17.0
          67.0      32.7
          68.0       6.7
          69.0       4.6
          77.0      23.5
          78.0      16.9
          79.0     100.0
          80.0      13.7
          81.0      76.7
          82.0       9.9
          83.0       2.3
          91.0      19.6
          92.0      31.0
          93.0       4.1
          95.0      24.4
          96.0       1.6
         109.0       7.2
         110.0      71.3
         111.0       5.8
    

90 MHz in CDCl3

400 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H10 O 0.04 ml : 0.5 ml CDCl3
    1,2,3,6-tetrahydrobenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.698 B 5.71 C 2.52 D 2.34 to 2.02 E *1 2.00 F *1 1.67 400MHZ : HSP-41-016

         Hz     ppm     Int.
    

        869.06   9.704    821
        868.06   9.693    687
        512.56   5.724    489
        510.94   5.706   1000
        510.00   5.695    462
        509.44   5.689    525
        508.56   5.679    194
        231.25   2.583     73
        230.06   2.569     81
        229.50   2.563    103
        228.25   2.549     96
        226.50   2.530     90
        225.38   2.517     80
        223.06   2.491    113
        222.69   2.487     99
        221.88   2.478    115
        221.00   2.468     88
        220.00   2.457     71
        218.13   2.436     64
        217.44   2.428     87
        216.19   2.414     94
        215.75   2.410     87
        215.13   2.403     85
        215.00   2.401     85
        214.19   2.392     93
        213.44   2.384     77
        212.63   2.375     62
        208.00   2.323     78
        206.38   2.305    120
        205.25   2.292    185
        203.94   2.278    318
        202.88   2.266    395
        202.25   2.259    351
        201.81   2.254    308
        201.38   2.249    284
        199.69   2.230    203
        198.44   2.216    197
        197.94   2.211    256
        197.44   2.205    249
        196.25   2.192    371
        195.88   2.188    391
        194.63   2.174    259
        193.25   2.158    320
        192.25   2.147    207
        191.69   2.141    258
        191.13   2.135    227
        190.44   2.127    201
        189.50   2.116    247
        188.56   2.106    281
        187.94   2.099    313
        186.88   2.087    440
        186.13   2.079    491
        185.06   2.067    420
        183.94   2.054    326
        182.56   2.039    139
        181.50   2.027    114
        180.75   2.019    105
        180.00   2.010    149
        179.63   2.006    168
        179.00   1.999    171
        178.00   1.988    131
        176.94   1.976    114
        176.56   1.972    142
        176.06   1.966    152
        175.63   1.962    168
        174.63   1.950    132
        173.75   1.941    131
        173.31   1.936    109
        172.56   1.927    140
        171.94   1.920    144
        170.63   1.906     93
        169.50   1.893    101
        169.25   1.890    101
        167.00   1.865     96
        166.44   1.859     85
        160.13   1.788     61
        158.88   1.775    127
        157.44   1.758     63
        153.00   1.709     90
        151.06   1.687     92
        149.75   1.673    100
        149.44   1.669     99
        149.00   1.664     71
        145.94   1.630     64
        142.56   1.592     61
    


  • 1H NMR 399.65 MHz
    C7 H10 O 0.04 ml : 0.5 ml CDCl3
    1,2,3,6-tetrahydrobenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.699 B 5.70 C 2.519 D 2.23 E 2.11 F *1 1.999 G *1 1.667 ASSIGNED BY H-H COSY. J(A,C)=1.2HZ.

         Hz     ppm     Int.
    

       3877.11   9.702    689
       3876.04   9.699    627
       2292.63   5.737     32
       2281.80   5.710    542
       2280.12   5.706   1000
       2278.59   5.702    457
       2268.22   5.676     37
       2267.30   5.674     44
       1021.58   2.557     49
       1020.36   2.554     50
       1018.22   2.548     54
       1017.00   2.545     53
       1014.56   2.539    106
       1013.34   2.536    109
       1011.35   2.531    126
       1010.28   2.528    126
       1008.30   2.523     69
       1007.39   2.521    100
       1006.32   2.519     70
       1004.49   2.514    149
       1003.27   2.511    146
       1001.28   2.506    111
       1000.06   2.503    103
        997.47   2.496     71
        996.25   2.493     70
        994.26   2.488     68
        993.04   2.485     69
        899.81   2.252    130
        898.44   2.249    136
        896.76   2.244    302
        895.84   2.242    290
        894.32   2.238    223
        892.79   2.234    220
        889.74   2.227    264
        888.52   2.224    265
        885.77   2.217    129
        852.51   2.134     64
        850.37   2.128    114
        848.24   2.123    159
        846.71   2.119    148
        845.03   2.115    201
        843.66   2.111    226
        842.90   2.110    228
        841.67   2.107    196
        839.84   2.102    182
        838.78   2.099    257
        836.64   2.094    159
        834.66   2.089    129
        833.44   2.086    125
        831.76   2.082     67
        830.54   2.079     61
        811.92   2.032     78
        808.56   2.024     79
        806.73   2.019    102
        803.38   2.011    102
        801.54   2.006     48
        798.80   1.999     93
        795.75   1.992     83
        793.76   1.987    125
        790.41   1.978    125
        788.57   1.974     58
        785.06   1.965     54
        684.20   1.712    102
        677.64   1.696    108
        676.42   1.693    113
        674.29   1.688    105
        671.23   1.680    100
        669.71   1.676    101
        667.72   1.671    104
        666.50   1.668    109
        664.67   1.664     93
        663.45   1.661     94
        661.32   1.655     95
        659.79   1.651     93
        656.74   1.644     81
        654.75   1.639     85
        653.53   1.636     89
        646.82   1.619     76
    

liquid film



4880 A,200 M,liquid