33884-43-4

2-(2-溴乙基)-1,3-二氧杂环己烷(33884-43-4)质谱(MS)

产品名称:2-(2-溴乙基)-1,3-二氧杂环己烷

CAS:33884-43-4

分子式:C6H11BrO2

分子量: 195.05

InChI:InChI=1S/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2

InChIKey: WMDHQEHPOVOEOG-UHFFFAOYSA-N

Smiles:O1CCCOC1CCBr

Mass

MS-NW-7374          
2-(2-bromoethyl)-1,3-dioxane
C6H11BrO2           (Mass of molecular ion:    194)

   Source Temperature: 200 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       2.6
      27.0      12.0
      28.0      15.5
      29.0      10.9
      31.0      21.4
      39.0       3.4
      41.0       9.1
      43.0       1.1
      55.0       2.3
      56.0       3.0
      57.0      13.9
      58.0       1.1
      59.0      14.0
      87.0     100.0
      88.0       4.9
     107.0       5.3
     108.0       1.0
     109.0       5.4
     135.0       3.9
     136.0       1.2
     137.0       4.2
     138.0       1.1
     193.0       5.0
     195.0       5.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₁ Br O₂	0.05 ml : 0.5 ml CDCl₃
2-(2-bromoethyl)-1,3-dioxane

    Assign.     Shift(ppm)

      A             4.702
      B             4.096
      C             3.782
      D             3.453
      E             2.129
      F             2.059
      G             1.355

     Hz     ppm     Int.

   1884.28   4.715    226
   1879.27   4.703    434
   1874.15   4.690    232
   1646.48   4.120    197
   1645.14   4.117    254
   1643.92   4.114    128
   1641.48   4.108    206
   1640.14   4.104    262
   1638.79   4.101    130
   1635.86   4.094    123
   1634.64   4.091    285
   1633.30   4.087    260
   1630.98   4.082    142
   1629.64   4.078    291
   1628.30   4.075    246
   1524.66   3.815    214
   1523.07   3.812    173
   1522.09   3.809    235
   1520.63   3.805    133
   1514.04   3.789    119
   1512.08   3.784    334
   1509.89   3.779    339
   1508.30   3.775    154
   1501.71   3.758    103
   1500.24   3.754    199
   1499.27   3.752    158
   1497.68   3.748    193
   1387.33   3.472    536
   1380.37   3.454   1000
   1373.54   3.437    570
    860.47   2.154    343
    855.47   2.141    344
    853.64   2.136    632
    848.51   2.124    624
    846.68   2.119    388
    843.51   2.111     53
    841.67   2.107    394
    836.55   2.094     76
    834.11   2.088     98
    833.13   2.085     79
    829.10   2.075    168
    828.13   2.073    124
    824.10   2.063     89
    823.12   2.060     72
    821.66   2.056     65
    820.68   2.054    101
    816.53   2.044     98
    815.67   2.041    177
    811.52   2.031     54
    810.67   2.029     91
    808.23   2.023     52
    803.22   2.010     83
    798.22   1.998     41
    552.12   1.382     57
    550.78   1.379    105
    549.56   1.376    151
    548.22   1.372    192
    547.00   1.369    157
    545.65   1.366    115
    544.43   1.363     64
    538.70   1.348     57
    537.35   1.345    100
    536.13   1.342    140
    534.79   1.339    175
    533.57   1.336    139
    532.23   1.332    100
    530.88   1.329     54

in CDCl3