19398-47-1

1,4-二溴-2-丁醇(19398-47-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:1,4-二溴-2-丁醇

CAS:19398-47-1

分子式:C4H8Br2O

分子量: 231.91

InChI:InChI=1S/C4H8Br2O/c5-2-1-4(7)3-6/h4,7H,1-3H2

InChIKey: PSSRAPMBSMSACN-UHFFFAOYSA-N

Smiles:C(Br)C(O)CCBr

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5436          
1,4-dibromo-2-butanol
C4H8Br2O            (Mass of molecular ion:    230)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       2.4
      15.0      16.0
      18.0       2.8
      26.0       7.3
      27.0      39.2
      28.0      10.4
      29.0      65.0
      30.0       2.0
      31.0      16.0
      37.0       1.0
      38.0       1.8
      39.0      10.2
      40.0       1.2
      41.0      12.5
      42.0       7.4
      43.0      64.9
      44.0      10.5
      45.0       1.7
      50.0       1.9
      51.0       2.4
      53.0      13.8
      54.0       1.7
      55.0       3.6
      57.0      32.0
      58.0       1.6
      70.0       1.2
      71.0      14.9
      79.0       2.4
      80.0       4.0
      81.0       3.4
      82.0       3.8
      83.0       1.0
      93.0       6.4
      94.0       2.4
      95.0       5.9
      96.0       2.1
     105.0       1.2
     107.0       6.1
     108.0       1.0
     109.0       6.8
     111.0       1.8
     121.0       3.5
     122.0       1.5
     123.0      64.1
     124.0       2.6
     125.0      59.5
     126.0       1.5
     133.0       6.4
     135.0       6.1
     136.0       7.4
     137.0     100.0
     138.0      10.4
     139.0      96.1
     140.0       3.6
     150.0       5.8
     151.0       5.9
     152.0       6.1
     153.0       5.7
     202.0       1.2
     204.0       2.2
     206.0       1.1
     213.0       1.8
     215.0       3.3
     217.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₈ Br₂ O	0.05 ml : 0.5 ml CDCl₃
1,4-dibromo-2-butanol

    Assign.     Shift(ppm)

      A             4.066
      B     *1      3.56
      C     *1      3.444
      D             3.18
      E             2.09

     Hz     ppm     Int.

   1636.72   4.096     83
   1632.93   4.086    146
   1630.00   4.079    123
   1628.42   4.075    157
   1626.34   4.070    178
   1624.51   4.065    184
   1621.95   4.059    161
   1620.73   4.056    129
   1617.92   4.049    166
   1614.14   4.039     97
   1440.19   3.604    116
   1435.91   3.593    302
   1432.01   3.584    440
   1430.05   3.579    390
   1428.22   3.574    631
   1421.51   3.557   1000
   1417.85   3.548    607
   1416.75   3.545    419
   1412.60   3.535    140
   1411.50   3.532    147
   1406.37   3.520     87
   1384.16   3.464    464
   1377.56   3.447    448
   1373.66   3.438    329
   1367.07   3.421    310
   1271.85   3.183    885
    857.30   2.146     66
    851.93   2.132     59
    848.27   2.123    183
    843.02   2.110    248
    839.97   2.102    322
    837.28   2.096    193
    835.82   2.092    239
    833.86   2.087    353
    831.30   2.081    196
    829.59   2.076    247
    828.74   2.074    231
    827.39   2.071    205
    825.07   2.065    187
    821.04   2.055    181
    819.21   2.050     76
    816.77   2.044     62
    810.42   2.028     54

in CDCl3