5715-23-1

3,4-二甲基环己醇(5715-23-1)红外图谱(IR1)

产品名称:3,4-二甲基环己醇

CAS:5715-23-1

分子式:C8H16O

分子量: 128.21

InChI:InChI=1S/C8H16O/c1-6-3-4-8(9)5-7(6)2/h6-9H,3-5H2,1-2H3

InChIKey: ZBAXJUPCYVIBSP-UHFFFAOYSA-N

Smiles:C1(O)CCC(C)C(C)C1

Mass

MS-NW-2115          
3,4-dimethylcyclohexanol
C8H16O              (Mass of molecular ion:    128)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.8
      18.0       4.2
      26.0       1.0
      27.0      17.0
      28.0       2.2
      29.0      16.6
      31.0       5.4
      39.0      17.3
      40.0       3.2
      41.0      45.8
      42.0       8.8
      43.0      50.1
      44.0      19.2
      45.0       5.4
      51.0       2.2
      52.0       1.0
      53.0       8.7
      54.0       6.8
      55.0      38.0
      56.0      26.3
      57.0      26.8
      58.0       8.4
      59.0       1.1
      65.0       1.7
      66.0       2.4
      67.0      22.0
      68.0      32.6
      69.0      44.4
      70.0      12.7
      71.0     100.0
      72.0       7.8
      73.0       1.6
      77.0       1.9
      79.0       2.3
      80.0       2.9
      81.0      49.9
      82.0      26.9
      83.0       4.7
      84.0      19.5
      85.0       4.6
      91.0       1.4
      93.0       1.8
      95.0      76.2
      96.0       6.1
      97.0       1.5
     109.0       5.1
     110.0      51.6
     111.0       4.9
     127.0       1.7
     128.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆ O	0.04 ml : 0.5 ml CDCl₃
3,4-dimethylcyclohexanol

    Assign.     Shift(ppm)

      A             3.68
      B             1.82
      C          2.09 to 1.02
      D     *1      0.89
      E     *1      0.84

     Hz     ppm     Int.

    176.13   1.967     30
    172.56   1.927     36
    172.25   1.924     35
    171.88   1.920     33
    170.44   1.904     37
    168.19   1.878     53
    167.75   1.874     54
    167.00   1.865     51
    165.81   1.852     48
    163.00   1.821   1000
    156.19   1.744     86
    154.44   1.725     94
    153.13   1.710     81
    152.19   1.700     95
    151.31   1.690     87
    150.31   1.679    100
    149.69   1.672    101
    147.25   1.645     93
    145.50   1.625    121
    142.94   1.597    117
    141.25   1.578     95
    139.50   1.558    136
    137.00   1.530    124
    135.75   1.516    104
    135.44   1.513    104
    133.13   1.487     83
    131.25   1.466    100
    128.19   1.432     53
    126.94   1.418     65
    125.94   1.407     70
    122.69   1.370     99
    119.94   1.340     56
    117.88   1.317     45
    116.69   1.303     38
    115.56   1.291     40
    113.50   1.268     83
    111.88   1.250     54
    111.25   1.243     56
    109.25   1.220     60
    108.13   1.208     38
    106.69   1.192     32
    106.25   1.187     33
    105.06   1.174     32
    104.56   1.168     34
    103.75   1.159     41
    102.06   1.140     32
     98.63   1.102     44
     97.50   1.089     36
     97.13   1.085     37
     96.19   1.075     39
     95.38   1.065     40
     93.75   1.047     32
     91.38   1.021     43
     91.00   1.017     46
     90.25   1.008     47
     88.63   0.990     55
     84.19   0.941    182
     82.13   0.918    407
     78.94   0.882    521
     77.38   0.865    351
     75.88   0.848    285
     72.38   0.809    500
     70.81   0.791    186

CCl4 solution