54512-75-3

1-溴-5-氯戊烷(54512-75-3)红外图谱(IR1)

产品名称:1-溴-5-氯戊烷

CAS:54512-75-3

分子式:C5H10BrCl

分子量: 185.49

InChI:InChI=1S/C5H10BrCl/c6-4-2-1-3-5-7/h1-5H2

InChIKey: PHHNNDKXQVKJEP-UHFFFAOYSA-N

Smiles:C(Br)CCCCCl

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9509          
1-bromo-5-chloropentane
C5H10BrCl           (Mass of molecular ion:    184)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.0
      27.0      12.3
      28.0       1.9
      29.0       7.9
      39.0       9.5
      40.0       1.8
      41.0      47.0
      42.0      13.2
      43.0      13.8
      49.0       2.0
      51.0       1.1
      53.0       3.3
      55.0      29.2
      56.0       1.4
      63.0       5.4
      65.0       1.9
      67.0       5.7
      68.0      11.9
      69.0     100.0
      70.0       6.8
      75.0       1.2
      76.0       1.4
      77.0       1.1
     104.0      20.2
     105.0       6.7
     106.0       7.0
     107.0       4.6
     109.0       4.1
     135.0       1.0
     137.0       1.0
     148.0       5.6
     150.0       5.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₀ Br Cl	0.05 ml : 0.5 ml CDCl₃
1-bromo-5-chloropentane

    Assign.     Shift(ppm)

      A             3.550
      B             3.422
      C             1.893
      D             1.804
      E             1.601

     Hz     ppm     Int.

   1425.42   3.567    581
   1418.95   3.551    977
   1412.23   3.534    572
   1374.39   3.439    570
   1367.68   3.423   1000
   1360.84   3.406    570
    771.00   1.930    123
    765.63   1.916     87
    764.28   1.913    284
    761.35   1.906     87
    759.77   1.902     68
    758.91   1.899    139
    757.08   1.895    302
    755.98   1.892    276
    754.64   1.889    176
    753.17   1.885     79
    752.20   1.883     82
    749.02   1.875    333
    742.31   1.858    152
    736.33   1.843    100
    729.37   1.826    263
    726.56   1.818     81
    724.12   1.812    151
    722.66   1.809    294
    721.44   1.806    256
    719.97   1.802    173
    717.53   1.796     90
    716.06   1.792    138
    714.48   1.788    315
    707.89   1.772    142
    653.93   1.637    106
    652.95   1.634    121
    648.07   1.622    147
    645.51   1.616    290
    644.41   1.613    181
    641.72   1.606    132
    639.77   1.601    134
    638.18   1.597    403
    635.86   1.592    149
    632.81   1.584    114
    630.86   1.579    138
    629.76   1.576    160
    623.41   1.560     59
    622.44   1.558     68

in CDCl3