6286-43-7

1,2,3-环已三醇(6286-43-7)核磁图(¹HNMR)

产品名称:1,2,3-环已三醇

CAS:6286-43-7

分子式:C6H12O3

分子量: 132.16

InChI:InChI=1S/C6H12O3/c7-4-2-1-3-5(8)6(4)9/h4-9H,1-3H2

InChIKey: IZSANPWSFUSNMY-UHFFFAOYSA-N

Smiles:C1(O)CCCC(O)C1O

Mass

MS-NW-9384          
1,2,3-cyclohexanetriol
C6H12O3             (Mass of molecular ion:    132)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      15.0       1.3
      18.0       1.5
      19.0       1.4
      27.0       5.6
      28.0       2.7
      29.0      10.6
      30.0       1.5
      31.0       5.4
      39.0       4.7
      40.0       1.7
      41.0       9.9
      42.0       6.8
      43.0       8.6
      44.0       7.9
      45.0       2.8
      47.0       1.6
      53.0       1.5
      55.0       8.1
      56.0       1.4
      57.0      40.4
      58.0      17.3
      59.0       1.1
      60.0       7.3
      67.0       5.3
      68.0       5.8
      69.0       6.2
      70.0     100.0
      71.0       8.2
      73.0       7.1
      79.0       1.1
      81.0       2.0
      83.0       7.5
      86.0       8.3
      95.0       2.1
      96.0       9.3
      97.0       3.7
     113.0       4.4
     114.0      17.3
     115.0       2.9

400 MHz in D2O

¹H NMR	399.65 MHz
C₆ H₁₂ O₃	0.044 g : 0.5 ml D₂O
1,2,3-cyclohexanetriol

    Assign.     Shift(ppm)

      A             4.055
      B             3.785
      C             3.441
      D             1.901
      E             1.758
      F             1.55
      G             1.318
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   1625.24   4.067    243
   1622.56   4.060    440
   1619.75   4.053    518
   1617.55   4.048    390
   1607.30   4.022     34
   1606.93   4.021     32
   1514.16   3.789    227
   1509.64   3.778    241
   1505.25   3.767    312
   1504.15   3.764    335
   1500.73   3.756    338
   1499.63   3.753    323
   1495.24   3.742    293
   1490.72   3.731    280
   1380.86   3.456    520
   1377.81   3.448    504
   1372.19   3.434    460
   1369.02   3.426    459
    771.24   1.930    163
    768.92   1.924    193
    767.33   1.921    240
    765.01   1.915    163
    762.82   1.909    200
    760.99   1.905    138
    758.30   1.898    224
    756.23   1.893    210
    754.15   1.888    259
    751.95   1.882    176
    749.76   1.877    123
    713.75   1.786    101
    708.86   1.774    226
    706.91   1.769    185
    705.20   1.765    194
    703.61   1.761    243
    700.44   1.753    168
    697.88   1.747    265
    693.60   1.736    178
    636.96   1.594    107
    635.50   1.591     99
    633.54   1.586    114
    631.96   1.582    105
    627.56   1.571    198
    623.29   1.560    660
    621.70   1.556    734
    620.48   1.553    718
    617.68   1.546   1000
    613.77   1.536    881
    605.59   1.516    241
    601.20   1.505    119
    598.51   1.498    104
    545.04   1.364     97
    538.82   1.349    137
    534.91   1.339    150
    532.23   1.332    183
    528.81   1.324    225
    525.63   1.316    169
    522.22   1.307    196
    519.17   1.300    159
    516.60   1.293    186
    506.35   1.267     89

in D2O