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

¹HNMR

¹³CNMR

IR1

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

¹H NMR	399.65 MHz
C₆ H₁₃ Br O	0.05 ml : 0.5 ml CDCl₃
6-bromo-1-hexanol

    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