6940-78-9

1-溴-4-氯丁烷(6940-78-9)質(zhì)譜(MS)

產(chǎn)品名稱:1-溴-4-氯丁烷

CAS:6940-78-9

分子式:C4H8BrCl

分子量: 171.46

InChI:InChI=1S/C4H8BrCl/c5-3-1-2-4-6/h1-4H2

InChIKey: NIDSRGCVYOEDFW-UHFFFAOYSA-N

Smiles:C(Br)CCCCl

Mass

MS-NW-9671          
1-bromo-4-chlorobutane
C4H8BrCl            (Mass of molecular ion:    170)

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

      26.0       2.4
      27.0      20.5
      28.0       3.6
      29.0      17.7
      39.0      10.4
      41.0      15.9
      42.0       1.3
      49.0       3.2
      50.0       1.0
      51.0       1.8
      53.0       5.2
      54.0       2.3
      55.0     100.0
      56.0       5.7
      62.0       6.2
      63.0       7.9
      64.0       2.1
      65.0       2.5
      75.0       2.3
      90.0       4.2
      91.0      71.7
      92.0       4.5
      93.0      23.6
      94.0       1.0
      95.0       1.4
     106.0       1.9
     107.0       4.7
     108.0       2.0
     109.0       4.3
     134.0       1.9
     136.0       1.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₈ Br Cl	0.05 ml : 0.5 ml CDCl₃
1-bromo-4-chlorobutane

    Assign.     Shift(ppm)

      A             3.581
      B             3.449
      C             2.027
      D             1.946

     Hz     ppm     Int.

   1437.50   3.597    670
   1431.15   3.582    979
   1424.93   3.566    598
   1385.25   3.467    566
   1378.91   3.451   1000
   1372.44   3.435    696
    826.29   2.068     81
    824.95   2.065     78
    819.82   2.052    242
    818.24   2.048    224
    815.55   2.041    141
    813.23   2.035    308
    811.52   2.031    373
    808.96   2.025    240
    806.64   2.019    152
    804.81   2.014    390
    802.61   2.009    208
    798.83   1.999    170
    797.49   1.996    150
    790.41   1.978    143
    788.94   1.975    177
    785.28   1.965    197
    783.08   1.960    365
    781.13   1.955    168
    779.05   1.950    237
    776.61   1.944    340
    774.66   1.939    304
    772.58   1.934    150
    769.78   1.927    217
    768.07   1.922    228
    763.18   1.910     78
    761.72   1.906     80

in CDCl3