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4286-55-9

6-溴正己醇(4286-55-9)核磁图(13CNMR)

产品名称:6-溴正己醇

CAS:4286-55-9

分子式:C6H13BrO

分子量: 181.07

InChI:InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2

InChIKey: FCMCSZXRVWDVAW-UHFFFAOYSA-N

Smiles:C(O)CCCCCBr

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    Mass

    MS-IW-9051          
    6-bromo-1-hexanol
    C6H13BrO            (Mass of molecular ion:    180)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       2.1
          26.0       1.4
          27.0      17.3
          28.0       4.8
          29.0      14.6
          31.0      26.8
          38.0       1.0
          39.0      15.4
          40.0       3.2
          41.0      56.4
          42.0      27.4
          43.0      18.6
          44.0       3.7
          45.0       2.9
          51.0       1.3
          53.0       5.0
          54.0      10.3
          55.0     100.0
          56.0      13.0
          57.0       6.5
          65.0       1.2
          67.0      25.9
          68.0       3.4
          69.0      18.5
          70.0       3.0
          71.0       4.1
          72.0       1.1
          79.0       3.0
          80.0       6.7
          81.0       5.4
          82.0      21.9
          83.0      70.9
          84.0       5.0
          85.0       1.0
         100.0       1.2
         107.0       3.5
         109.0       3.4
         120.0       1.1
         121.0       1.5
         122.0       1.1
         123.0       1.1
         134.0      16.3
         135.0       1.4
         136.0      15.9
         137.0       1.2
         162.0       3.1
         163.0       1.0
         164.0       3.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H13 Br O 0.05 ml : 0.5 ml CDCl3
    6-bromo-1-hexanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.87 B 3.637 C 3.420 D 1.874 E 1.583 F 1.468 G 1.387

         Hz     ppm     Int.
    

       1546.39   3.870    340
       1460.33   3.655    415
       1458.25   3.649     76
       1453.74   3.638    777
       1451.54   3.633    108
       1447.14   3.622    412
       1373.90   3.438    522
       1371.83   3.433     77
       1367.07   3.421   1000
       1364.99   3.416    124
       1360.35   3.404    555
       1358.15   3.399     71
        763.18   1.910     91
        756.35   1.893    258
        753.66   1.886     92
        749.39   1.876    302
        741.58   1.856    279
        736.82   1.844     33
        734.74   1.839    120
        647.58   1.621     80
        640.63   1.603    209
        633.54   1.586    265
        625.98   1.567    248
        619.38   1.550    105
        603.88   1.512     58
        602.78   1.509     57
        596.80   1.494    143
        594.60   1.488    111
        593.38   1.485    108
        589.60   1.476    189
        588.75   1.474    206
        587.77   1.471    203
        585.45   1.465    133
        584.47   1.463    122
        582.64   1.458    167
        580.93   1.454    184
        578.13   1.447    112
        573.97   1.437    119
        571.78   1.431     69
        567.99   1.422    118
        564.33   1.413    121
        560.79   1.404    204
        558.35   1.398    119
        553.96   1.387    246
        549.07   1.374    110
        547.12   1.369    123
        544.92   1.364    131
        540.04   1.352     55
        537.84   1.346     47
    

in CDCl3

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liquid film

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