6-Bromohexanoyl chloride(22809-37-6) Raman

Product Name6-Bromohexanoyl chloride

CAS 22809-37-6

Molecular FormulaC6H10BrClO

Molecular Weight213.5

InChIInChI=1S/C6H10BrClO/c7-5-3-1-2-4-6(8)9/h1-5H2

InChIKey HBPVGJGBRWIVSX-UHFFFAOYSA-N

SmilesC(Cl)(=O)CCCCCBr

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Mass

MS-NW-9668          
6-bromohexanoyl chloride
C6H10BrClO          (Mass of molecular ion:    212)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.5
      27.0      14.9
      28.0       3.4
      29.0       4.9
      36.0       6.7
      38.0       2.7
      39.0      14.4
      40.0       3.1
      41.0      42.7
      42.0      10.4
      43.0       6.1
      48.0       2.9
      49.0       1.9
      51.0       1.1
      53.0       4.1
      54.0       4.3
      55.0      75.5
      56.0       3.8
      60.0       2.7
      63.0       3.6
      65.0       1.7
      67.0       5.9
      68.0       8.4
      69.0     100.0
      70.0       8.4
      73.0       1.7
      77.0       1.1
      78.0      18.8
      79.0       4.3
      80.0       7.6
      81.0       1.1
      82.0       2.6
      91.0       6.4
      93.0       2.8
      95.0       1.3
      96.0       2.5
      97.0      45.6
      98.0       3.5
     105.0       1.1
     107.0       5.1
     109.0       4.7
     115.0       1.5
     132.0       3.7
     133.0       2.2
     134.0       3.9
     135.0       5.4
     137.0       4.6
     148.0       2.2
     149.0       3.2
     150.0       2.3
     151.0       3.1
     176.0       1.8
     177.0      30.6
     178.0       3.8
     179.0      30.1
     180.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₀ Br Cl O	0.05 ml : 0.5 ml CDCl₃
6-bromohexanoyl chloride

    Assign.     Shift(ppm)

      A             3.415
      B             2.928
      C             1.886
      D             1.743
      E             1.517

     Hz     ppm     Int.

   1371.46   3.432    563
   1364.75   3.415   1000
   1358.03   3.399    581
   1177.61   2.947    575
   1170.41   2.929    913
   1163.09   2.911    595
    768.19   1.923    131
    761.47   1.906    306
    758.67   1.899     80
    755.98   1.892    126
    754.39   1.888    303
    753.17   1.885    275
    750.49   1.878     70
    749.39   1.876     75
    746.34   1.868    347
    739.62   1.851    156
    712.40   1.783    119
    705.08   1.765    293
    702.15   1.757     79
    701.17   1.755     59
    697.39   1.746    320
    695.07   1.740    129
    692.14   1.732     84
    689.58   1.726    294
    682.25   1.708    152
    621.83   1.556    117
    616.82   1.544    151
    614.26   1.537    270
    612.67   1.534    154
    610.23   1.527    136
    606.81   1.519    375
    604.25   1.512    146
    601.56   1.506    130
    598.51   1.498    161
    591.67   1.481     71
    591.06   1.479     74

in CDCl3