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rac-Cycloheptane-1β,2α-diol

Mass

MS-IW-0760          
(+-)-trans-1,2-cycloheptanediol
C7H14O2             (Mass of molecular ion:    130)

   Source Temperature: 190 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.0
      18.0       4.8
      19.0       1.1
      27.0      10.8
      28.0       5.5
      29.0      16.7
      30.0       1.9
      31.0       8.1
      39.0      11.4
      40.0       3.3
      41.0      40.7
      42.0      11.3
      43.0      19.3
      44.0      22.3
      45.0       7.9
      47.0       1.4
      51.0       1.1
      53.0       6.0
      54.0       5.8
      55.0      45.3
      56.0      51.1
      57.0     100.0
      58.0      10.6
      59.0       1.3
      60.0       2.0
      65.0       1.4
      66.0       4.9
      67.0      21.4
      68.0      85.1
      69.0      25.1
      70.0      62.7
      71.0      15.5
      72.0       1.4
      73.0       3.5
      74.0       2.3
      77.0       2.4
      78.0       1.3
      79.0      36.5
      80.0       3.6
      81.0      16.2
      82.0       7.3
      83.0      61.5
      84.0      33.5
      85.0       3.0
      86.0       1.1
      87.0       7.7
      91.0       1.6
      93.0       3.1
      94.0      56.2
      95.0      12.2
      96.0       1.3
      97.0      24.7
      98.0       1.8
      99.0       2.2
     101.0       2.9
     111.0       3.5
     112.0      15.2
     113.0       4.8
     167.0       1.5
     171.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₁₄ O₂	0.041 g : 0.5 ml DMSO-d₆
(+-)-trans-1,2-cycloheptanediol

    Assign.     Shift(ppm)

      A             4.41
      B             2.287
      C     *1      1.63
      D     *2      1.58
      E             1.43
      F     *1      1.40
      G     *2      1.35
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   1762.94   4.412   1000
   1349.49   3.377    161
   1316.41   3.294    473
   1311.77   3.283    426
    673.71   1.686    147
    672.00   1.682    216
    670.53   1.678    224
    669.07   1.675    174
    663.70   1.661    275
    660.64   1.654    394
    657.47   1.646    283
    650.63   1.628    448
    641.72   1.606    430
    636.11   1.592    347
    633.54   1.586    257
    631.84   1.581    224
    629.52   1.576    352
    625.24   1.565    238
    623.90   1.562    238
    621.46   1.556    226
    620.24   1.552    201
    616.82   1.544    122
    615.11   1.540    163
    611.33   1.530     49
    610.96   1.529     50
    610.72   1.529     50
    610.35   1.528     50
    609.86   1.526     49
    608.15   1.522     54
    607.91   1.522     54
    605.71   1.516     46
    605.35   1.515     46
    603.03   1.509     54
    601.93   1.507     51
    600.46   1.503     56
    600.10   1.502     56
    598.27   1.497     50
    595.83   1.491     61
    593.63   1.486     53
    593.26   1.485     53
    592.65   1.483     53
    592.16   1.482     54
    584.96   1.464    261
    578.37   1.448    641
    572.39   1.433    632
    566.28   1.417    697
    561.28   1.405    410
    559.69   1.401    452
    554.08   1.387    513
    548.46   1.373    470
    543.21   1.360    364
    536.74   1.344    313
    532.84   1.334    140
    531.49   1.330    163
    530.64   1.328    155
    526.49   1.318    121
    525.02   1.314    122
    519.90   1.301     66
    518.07   1.297     65

in DMSO-d6

KBr disc

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