2534-77-2

EXO-2-溴降莰烷(2534-77-2)质谱(MS)

产品名称:EXO-2-溴降莰烷

CAS:2534-77-2

分子式:C7H11Br

分子量: 175.07

InChI:InChI=1/C7H11Br/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/t5-,6+,7+/s3

InChIKey: QXYOAWHKJRWNID-QXWMLGDLNA-N

Smiles:[C@]12([H])C[C@]([H])(CC1)C[C@H]2Br |&1:0,3,8,r|

Mass

MS-NW-6435          
exo-2-bromonorbornane
C7H11Br             (Mass of molecular ion:    174)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       6.1
      29.0       1.6
      38.0       1.3
      39.0      11.6
      40.0       2.6
      41.0      11.8
      51.0       2.1
      52.0       1.1
      53.0       5.0
      54.0       4.2
      55.0       6.1
      65.0       3.9
      66.0       9.1
      67.0      31.1
      68.0       7.0
      77.0       2.9
      79.0       6.0
      80.0       1.2
      91.0       1.3
      93.0       3.2
      94.0       1.9
      95.0     100.0
      96.0       8.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₁ Br	0.05 ml : 0.5 ml CDCl₃
exo-2-bromonorbornane

    Assign.     Shift(ppm)

      A             3.986
      B             2.514
      C             2.313
      D             2.05
      E     *1      1.855
      F     *2      1.637
      G     *3      1.480
      J     *1      1.288
      K     *2      1.179
      L     *3      1.088
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   1599.12   4.002    421
   1597.53   3.998    449
   1595.58   3.993    435
   1593.87   3.989    458
   1592.41   3.985    477
   1590.45   3.980    454
   1588.75   3.976    436
   1587.04   3.972    403
   1007.08   2.520    681
   1002.32   2.508    672
    924.44   2.314    662
    837.77   2.097    141
    835.08   2.090    130
    826.90   2.070    363
    823.36   2.061    666
    820.43   2.053   1000
    818.60   2.049    882
    812.74   2.034    519
    811.77   2.032    551
    804.08   2.012    124
    798.58   1.999    116
    797.00   1.995    135
    750.49   1.878    171
    748.54   1.873    391
    746.70   1.869    565
    745.00   1.865    402
    742.92   1.859    186
    740.48   1.853    198
    738.40   1.848    427
    736.69   1.844    609
    734.99   1.840    429
    732.91   1.834    177
    674.19   1.687    148
    669.80   1.676    230
    665.16   1.665    161
    661.74   1.656    345
    657.23   1.645    508
    652.95   1.634    338
    649.29   1.625    248
    645.02   1.614    329
    640.63   1.603    237
    634.64   1.588    206
    608.64   1.523    126
    604.74   1.514    239
    602.05   1.507    231
    600.71   1.504    158
    597.41   1.495    255
    592.77   1.484    384
    590.21   1.477    379
    585.94   1.467    228
    582.15   1.457    130
    580.81   1.454    195
    578.00   1.447    192
    576.78   1.444    132
    523.07   1.309    222
    521.48   1.305    560
    519.78   1.301    756
    518.07   1.297    530
    516.48   1.293    215
    513.06   1.284    205
    511.47   1.280    514
    509.77   1.276    697
    508.06   1.272    487
    506.47   1.268    189
    486.08   1.217    193
    483.76   1.211    202
    481.69   1.206    180
    479.37   1.200    182
    476.93   1.194    269
    474.61   1.188    300
    472.78   1.183    379
    470.58   1.178    365
    466.80   1.169    143
    464.23   1.162    250
    461.91   1.156    262
    460.08   1.152    297
    457.89   1.146    272
    446.41   1.118    304
    444.09   1.112    342
    442.75   1.108    312
    440.43   1.103    274
    437.38   1.095    184
    434.94   1.089    389
    432.98   1.084    351
    431.15   1.079    379
    428.71   1.073    229
    425.90   1.066    168
    423.58   1.060    170
    421.88   1.056    171
    419.56   1.050    152

in CDCl3