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96-37-7

甲基环戊烷(96-37-7)红外图谱(IR2)

产品名称:甲基环戊烷

CAS:96-37-7

分子式:C6H12

分子量: 84.16

InChI:InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3

InChIKey: GDOPTJXRTPNYNR-UHFFFAOYSA-N

Smiles:C1(C)CCCC1

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    Mass

    MS-NW-1064          
    methylcyclopentane
    C6H12               (Mass of molecular ion:     84)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          26.0       1.2
          27.0      10.0
          28.0       1.1
          29.0       7.2
          38.0       1.2
          39.0      14.0
          40.0       3.6
          41.0      49.5
          42.0      24.7
          43.0      11.2
          50.0       1.1
          51.0       1.5
          53.0       2.8
          54.0       3.2
          55.0      23.1
          56.0     100.0
          57.0       6.1
          67.0       2.3
          68.0       4.1
          69.0      35.4
          70.0       1.9
          84.0      17.5
          85.0       1.2
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H12 0.05 ml : 0.5 ml CDCl3
    methylcyclopentane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.868 B *1 1.728 C *2 1.62 D *2 1.52 E *1 1.055 F 0.968

         Hz     ppm     Int.
    

        760.01   1.902     46
        758.91   1.899     50
        751.71   1.881     92
        745.00   1.865    103
        737.92   1.847     74
        736.33   1.843     48
        706.30   1.768     47
        705.32   1.765     48
        704.35   1.763     48
        702.64   1.759     47
        700.93   1.754     59
        699.71   1.751     87
        698.85   1.749     83
        697.39   1.746     88
        695.80   1.742     83
        694.21   1.738    128
        692.75   1.734     95
        691.89   1.732     91
        690.31   1.728     83
        688.60   1.724    103
        687.13   1.720    124
        684.81   1.714     92
        683.11   1.710    101
        681.76   1.706     99
        678.71   1.699     55
        677.25   1.695     44
        675.90   1.692     66
        674.68   1.689     56
        656.49   1.643     48
        654.42   1.638     79
        654.05   1.637     82
        652.95   1.634     55
        652.47   1.633     53
        650.27   1.628    122
        648.93   1.624     79
        646.61   1.618    129
        645.87   1.617    152
        643.80   1.611     83
        643.31   1.610     83
        642.46   1.608     90
        641.60   1.606     95
        640.87   1.604     84
        638.79   1.599    113
        636.35   1.593     71
        635.74   1.591     71
        634.40   1.588     57
        632.93   1.584     60
        629.76   1.576     62
        625.12   1.565     46
        622.19   1.557     56
        620.85   1.554     60
        617.19   1.545     38
        615.11   1.540     80
        614.62   1.538     63
        613.89   1.537     57
        612.67   1.534     93
        612.06   1.532     98
        611.33   1.530    122
        610.60   1.528     87
        607.79   1.521    128
        607.18   1.520    119
        606.45   1.518    106
        604.37   1.513    152
        603.88   1.512    146
        603.39   1.510    132
        602.78   1.509     96
        602.05   1.507     74
        600.22   1.502    107
        599.12   1.500    132
        596.80   1.494     88
        595.21   1.490     68
        594.36   1.488     58
        592.53   1.483     53
        592.04   1.482     48
        591.19   1.480     38
        439.82   1.101     47
        438.72   1.098     49
        437.99   1.096     41
        433.96   1.086     49
        431.52   1.080    114
        428.71   1.073     70
        427.25   1.070     78
        425.90   1.066    109
        423.58   1.060    122
        421.75   1.056     80
        419.19   1.049    126
        417.60   1.045    102
        416.14   1.042     75
        415.28   1.040     82
        413.33   1.035     75
        411.50   1.030     96
        408.08   1.022     43
        404.05   1.012     40
        402.95   1.009     41
        390.38   0.977   1000
        387.82   0.971     77
        383.67   0.961    941
        381.23   0.954     97
    

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    1H NMR 89.56 MHz
    C6 H12 0.04 ml : 0.5 ml CDCl3
    methylcyclopentane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.80 B 1.75 to 1.41 C 1.18 to 0.78 D 0.970

         Hz     ppm     Int.
    

        161.31   1.802    153
        145.38   1.624    410
        138.13   1.543    300
         89.50   1.000   1000
         83.44   0.932    743
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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