4224-70-8

6-溴己酸(4224-70-8)红外图谱(IR3)

产品名称:6-溴己酸

CAS:4224-70-8

分子式:C6H11BrO2

分子量: 195.05

InChI:InChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)

InChIKey: NVRVNSHHLPQGCU-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCCCBr

Mass

MS-NW-6191          
6-bromohexanoic acid
C6H11BrO2           (Mass of molecular ion:    194)

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

      15.0       1.2
      18.0       2.3
      26.0       1.8
      27.0      15.9
      28.0       3.9
      29.0       9.8
      31.0       1.6
      38.0       1.1
      39.0      10.6
      40.0       2.3
      41.0      27.0
      42.0       9.3
      43.0       7.4
      45.0       6.8
      48.0       1.0
      53.0       2.4
      54.0       5.9
      55.0      24.4
      56.0       2.5
      57.0       2.0
      59.0       1.3
      60.0     100.0
      61.0       3.7
      67.0       1.8
      68.0       2.5
      69.0      23.6
      70.0       2.6
      71.0       1.8
      73.0      25.7
      74.0       1.2
      80.0       1.0
      82.0       1.1
      85.0       3.3
      87.0       3.5
      97.0      17.8
      98.0       1.4
     107.0       1.9
     109.0       1.8
     114.0       1.2
     115.0      15.5
     116.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₁ Br O₂	0.036 g : 0.5 ml CDCl₃
6-bromohexanoic acid

    Assign.     Shift(ppm)

      A            11.
      B             3.414
      C             2.385
      D             1.886
      E             1.671
      F             1.508

     Hz     ppm     Int.

   1371.37   3.432    499
   1364.59   3.415   1000
   1357.81   3.398    529
    960.71   2.404    441
    953.38   2.386    764
    945.87   2.367    466
    768.93   1.925    105
    761.97   1.907    268
    759.41   1.901     69
    756.66   1.894    107
    754.83   1.889    281
    752.63   1.884    131
    750.98   1.880     56
    749.88   1.877     65
    747.14   1.870    297
    740.18   1.853    129
    684.31   1.713     74
    676.98   1.694    219
    674.24   1.688     65
    673.14   1.685     50
    668.92   1.674    265
    661.41   1.655    230
    659.40   1.650     65
    653.90   1.637    116
    617.27   1.545     90
    616.36   1.543     92
    611.59   1.531    119
    609.03   1.524    208
    605.18   1.515    113
    601.70   1.506    288
    599.14   1.500    117
    596.57   1.493     97
    594.01   1.487    112
    592.91   1.484    126
    586.87   1.469     48
    585.77   1.466     49

in CDCl3