493-02-7

反式十氫化萘(493-02-7)紅外圖譜(IR1)

產(chǎn)品名稱:反式十氫化萘

CAS:493-02-7

分子式:C10H18

分子量: 138.25

InChI:InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-

InChIKey: NNBZCPXTIHJBJL-MGCOHNPYSA-N

Smiles:C1[C@]2([H])[C@]([H])(CCCC2)CCC1

Mass

MS-NW-2851          
trans-decalin
C10H18              (Mass of molecular ion:    138)

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

      27.0      11.5
      28.0       2.4
      29.0       9.8
      39.0      17.4
      40.0       3.0
      41.0      42.1
      42.0       4.0
      43.0       3.3
      51.0       2.7
      52.0       1.6
      53.0      10.3
      54.0      15.7
      55.0      30.9
      56.0       2.7
      57.0       1.0
      65.0       3.2
      66.0       8.9
      67.0      85.2
      68.0      90.6
      69.0      44.1
      70.0       3.9
      77.0       4.3
      78.0       1.2
      79.0       8.3
      80.0       4.9
      81.0      56.5
      82.0      68.1
      83.0      14.6
      91.0       2.2
      93.0       3.5
      94.0       4.5
      95.0      65.3
      96.0      68.0
      97.0       9.1
     109.0      18.6
     110.0       8.5
     123.0       1.2
     137.0       1.7
     138.0     100.0
     139.0      11.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₈	0.016 g : 0.5 ml CDCl₃
trans-decalin

    Assign.     Shift(ppm)

      A             1.673
      B             1.545
      C             1.231
      D             0.93
      E             0.87
     
     ASSIGNED BY H-H AND C-H COSY.

     Hz     ppm     Int.

    688.96   1.724     55
    688.11   1.722     68
    687.62   1.721     69
    687.13   1.720     70
    684.94   1.714     99
    684.45   1.713     94
    683.84   1.712    103
    683.47   1.711    104
    682.74   1.709    111
    681.15   1.705    124
    680.79   1.704    123
    675.17   1.690    810
    672.85   1.684    912
    670.41   1.678    673
    665.89   1.667    930
    664.18   1.662    909
    663.82   1.662    910
    661.38   1.655    504
    658.81   1.649    165
    656.98   1.644    135
    654.05   1.637    122
    652.22   1.632     89
    651.12   1.630    129
    646.36   1.618     45
    632.32   1.583     44
    624.27   1.563    787
    623.41   1.560    780
    613.28   1.535    874
    611.69   1.531    994
    602.42   1.508     50
    601.81   1.506     48
    601.07   1.504     45
    600.59   1.503     45
    599.98   1.502     49
    599.24   1.500     49
    598.63   1.498     47
    597.66   1.496     47
    516.36   1.293     87
    515.26   1.290     75
    514.65   1.288     70
    514.16   1.287     67
    512.82   1.284     93
    511.72   1.281     81
    509.64   1.276     46
    509.16   1.275     45
    508.54   1.273     55
    507.20   1.270     80
    501.34   1.255    581
    499.27   1.250    308
    498.29   1.247    338
    495.24   1.240    487
    492.31   1.232   1000
    488.89   1.224    578
    486.45   1.218    352
    483.28   1.210    542
    481.45   1.205    455
    479.86   1.201    439
    475.59   1.191     59
    473.88   1.186     64
    471.44   1.180     94
    470.34   1.177     97
    469.12   1.174     78
    467.90   1.171    127
    394.53   0.988     49
    394.17   0.987     51
    391.36   0.980    148
    389.04   0.974    198
    387.57   0.970    182
    386.35   0.967    181
    385.99   0.966    178
    380.74   0.953    419
    380.13   0.952    415
    377.69   0.946    470
    376.34   0.942    373
    376.10   0.942    373
    375.24   0.939    357
    374.15   0.937    365
    371.83   0.931    351
    368.29   0.922    614
    365.23   0.914    559
    361.69   0.906    343
    361.21   0.904    343
    359.25   0.899    448
    356.57   0.893    569
    353.76   0.886    702
    351.68   0.880    547
    349.37   0.875    332
    346.56   0.868    207
    345.34   0.865    236
    343.02   0.859    304
    340.45   0.852    260
    338.13   0.847    144
    335.21   0.839     99
    334.84   0.838     97
    334.47   0.837    104
    333.98   0.836    102
    332.52   0.833    103
    329.71   0.825     59

in CDCl3