590-66-9

1,1-二甲基环己烷(590-66-9)质谱(MS)

产品名称:1,1-二甲基环己烷

CAS:590-66-9

分子式:C8H16

分子量: 112.21

InChI:InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3

InChIKey: QEGNUYASOUJEHD-UHFFFAOYSA-N

Smiles:C1(C)(C)CCCCC1

Mass

MS-NW-5331          
1,1-dimethylcyclohexane
C8H16               (Mass of molecular ion:    112)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       9.0
      28.0       1.6
      29.0       8.3
      39.0      11.2
      40.0       2.2
      41.0      35.1
      42.0       5.3
      43.0      12.1
      51.0       1.4
      53.0       4.3
      54.0       1.5
      55.0      72.0
      56.0      40.9
      57.0      13.2
      67.0       3.8
      68.0       5.5
      69.0      49.3
      70.0      11.5
      81.0       1.4
      83.0       3.3
      84.0       5.4
      96.0       4.8
      97.0     100.0
      98.0       8.0
     112.0       4.2

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₆	0.04 ml : 0.5 ml CDCl₃
1,1-dimethylcyclohexane

    Assign.     Shift(ppm)

      A             1.43
      B             1.36
      C             1.220
      D             0.876

     Hz     ppm     Int.

    577.88   1.446     50
    573.24   1.435    102
    567.87   1.421     96
    562.26   1.407     66
    560.91   1.404     58
    551.27   1.380     41
    549.68   1.376     41
    546.39   1.368     55
    541.26   1.355     55
    493.77   1.236    103
    487.79   1.221    127
    481.81   1.206    119
    350.22   0.877   1000
    336.91   0.844     33
    331.91   0.831     21

¹H NMR	89.56 MHz
C₈ H₁₆	0.04 ml : 0.5 ml CDCl₃
1,1-dimethylcyclohexane

    Assign.     Shift(ppm)

      A          1.59 to 1.04
      B             0.876

     Hz     ppm     Int.

    123.31   1.377    131
    118.56   1.324     41
    117.31   1.310     39
    113.13   1.264     72
    111.31   1.243     67
    110.06   1.229     64
    108.69   1.214     60
    104.88   1.172     28
    103.63   1.158     29
     78.50   0.877   1000

in CDCl3