4,5-DIMETHYLOCTANE

Mass

MS-IW-5294          
4,5-dimethyloctane
C10H22              (Mass of molecular ion:    142)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       9.2
      29.0      14.5
      39.0       6.9
      40.0       1.1
      41.0      27.1
      42.0      17.1
      43.0      88.8
      44.0       3.8
      53.0       2.3
      55.0      31.4
      56.0       5.1
      57.0      73.2
      58.0       3.3
      67.0       1.0
      69.0       5.8
      70.0     100.0
      71.0      71.7
      72.0       3.6
      85.0       3.1
      97.0       1.0
      98.0       7.5
      99.0      14.6
     100.0       1.1
     105.0       3.1
     113.0       1.9
     142.0       3.3

Assign. Shift(ppm) A 1.42 B *1 1.40 to 1.34 C *2 1.31 D *2 1.29 to 1.24 E *3 1.23 G *1 1.20 J *3 1.11 K *2 1.04 L 0.885 M 0.810 N 0.745 ASSIGNED BY H-H COSY. MIXTURE OF OPTICAL ISOMERS.

     Hz     ppm     Int.

    548.71   1.373    113
    538.82   1.349    113
    509.03   1.274    117
    502.44   1.258    136
    498.54   1.248    117
    497.19   1.245    133
    496.34   1.242    142
    494.02   1.237    126
    458.25   1.147     40
    451.17   1.129     56
    448.24   1.122     48
    445.92   1.116     48
    443.36   1.110     60
    440.31   1.102     44
    437.99   1.096     45
    435.06   1.089     41
    432.01   1.081     54
    423.10   1.059     57
    422.61   1.058     57
    419.80   1.051     44
    417.72   1.046     43
    414.79   1.038     39
    413.82   1.036     44
    409.91   1.026     42
    408.81   1.023     39
    360.35   0.902    648
    358.28   0.897    137
    353.39   0.885   1000
    346.07   0.866    545
    344.36   0.862    140
    327.27   0.819    560
    320.56   0.803    529
    301.15   0.754    596
    294.43   0.737    574