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返回ChemicalBook首页>CAS数据库列表>16069-36-6更多图谱> 二环己烷并-18-冠醚-6(16069-36-6)质谱(MS)

16069-36-6

二环己烷并-18-冠醚-6(16069-36-6)质谱(MS)

分子式:C20H36O6

分子量: 372.5

InChI:InChI=1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2

InChIKey: BBGKDYHZQOSNMU-UHFFFAOYSA-N

Smiles:O1CCOCCOC2CCCCC2OCCOCCOC2CCCCC12

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    Mass

    MS-NW-6514          
    dicyclohexano-18-crown-6
    C20H36O6            (Mass of molecular ion:    372)
    

       Source Temperature: 180 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       3.6
          19.0       2.2
          27.0       8.4
          28.0       7.9
          29.0       9.0
          31.0       8.6
          39.0       4.0
          40.0       1.0
          41.0      30.7
          42.0       8.4
          43.0      20.2
          44.0      14.1
          45.0     100.0
          46.0       2.3
          53.0       4.6
          54.0       5.8
          55.0      18.9
          56.0       2.1
          57.0      12.4
          58.0       5.7
          59.0       8.1
          64.0       1.3
          67.0      11.6
          68.0       2.8
          69.0      11.3
          70.0       8.3
          71.0       5.4
          72.0      17.0
          73.0      28.5
          74.0       1.2
          75.0       2.3
          77.0       1.1
          78.0       1.5
          79.0       7.1
          80.0       5.8
          81.0      59.9
          82.0      20.0
          83.0      15.2
          84.0       2.5
          85.0       1.7
          86.0       3.4
          87.0      15.8
          88.0      10.9
          89.0      36.0
          90.0       2.0
          91.0       1.3
          94.0       1.0
          95.0       2.3
          96.0       4.2
          97.0      13.5
          98.0      20.6
          99.0      41.2
         100.0       3.8
         101.0       4.8
         103.0       1.5
         105.0       1.7
         107.0       7.1
         108.0       1.1
         109.0       1.1
         111.0       1.2
         112.0       2.9
         113.0       3.4
         114.0       2.5
         115.0       2.0
         117.0       1.6
         119.0       1.4
         124.0       2.6
         125.0       2.3
         126.0       6.4
         127.0       7.6
         128.0       1.2
         129.0       1.8
         131.0       1.0
         133.0       1.7
         140.0       5.4
         141.0      12.8
         142.0       9.5
         143.0      23.9
         144.0       2.4
         155.0       4.3
         156.0       1.8
         157.0       1.5
         158.0       2.3
         159.0       1.1
         168.0       2.2
         169.0       2.2
         170.0       3.0
         171.0       2.8
         184.0       1.0
         185.0       6.8
         186.0       4.3
         187.0      10.8
         188.0       1.2
         203.0       1.0
         231.0       1.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C20 H36 O6 0.053 g : 0.5 ml CDCl3
    dicyclohexano-18-crown-6
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.80 to 3.570 B 3.55 C 1.86 D 1.61 E 1.44 F 1.27

         Hz     ppm     Int.
    

       1467.90   3.673    426
       1466.43   3.670    315
       1463.01   3.661    519
       1458.62   3.650    245
       1457.15   3.647    209
       1453.86   3.638    231
       1452.03   3.634    147
       1449.95   3.629    238
       1447.51   3.622    131
       1445.56   3.618    119
       1444.46   3.615    127
       1432.25   3.584    107
       1431.76   3.583    106
       1424.07   3.564    122
       1423.71   3.563    124
       1423.10   3.561    128
       1421.75   3.558    131
       1420.90   3.556    130
       1420.41   3.555    131
       1420.04   3.554    133
       1419.68   3.553    134
       1419.07   3.551    133
       1417.36   3.547    119
       1413.33   3.537    123
       1412.96   3.536    122
       1411.25   3.532    125
        747.31   1.870    107
        746.58   1.869    104
        744.38   1.863    112
        743.65   1.861    114
        743.04   1.860    111
        742.19   1.858    107
        741.70   1.856    107
        739.26   1.850    117
        738.77   1.849    114
        736.45   1.843    105
        735.47   1.841    107
        735.11   1.840    108
        645.63   1.616    104
        644.90   1.614    106
        644.41   1.613    105
        643.19   1.610    104
        641.85   1.607    117
        641.24   1.605    119
        640.38   1.603    122
        639.16   1.600    114
        637.82   1.596    119
        636.11   1.592    127
        635.50   1.591    125
        635.01   1.589    120
        633.54   1.586    109
        633.18   1.585    110
        632.81   1.584    109
        632.57   1.583    109
        632.20   1.582    110
        631.35   1.580    112
        584.47   1.463    104
        582.03   1.457    111
        581.67   1.456    112
        575.07   1.439    107
        574.34   1.438    112
        573.85   1.436    112
        573.49   1.435    115
        572.75   1.434    116
        572.27   1.432    116
        571.78   1.431    115
        516.97   1.294    113
        514.04   1.287    137
        513.55   1.285    136
        513.31   1.285    136
        511.60   1.281    131
        508.79   1.274    158
        508.18   1.272    159
        505.37   1.265    148
        505.00   1.264    148
        504.52   1.263    146
        501.59   1.256    116
        500.49   1.253    120
        500.12   1.252    121
        499.63   1.251    122
        498.78   1.249    120
    

liquid film

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