21702-84-1

2,4-二溴苯甲醚(21702-84-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:2,4-二溴苯甲醚

CAS:21702-84-1

分子式:C7H6Br2O

分子量: 265.93

InChI:InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3

InChIKey: XGXUGXPKRBQINS-UHFFFAOYSA-N

Smiles:C1(OC)=CC=C(Br)C=C1Br

Mass

MS-NW-9370          
2,4-dibromoanisole
C7H6Br2O            (Mass of molecular ion:    264)

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

      15.0       1.3
      37.0       3.3
      38.0       2.8
      39.0       1.0
      43.0       1.0
      49.0       1.0
      50.0       5.2
      51.0       1.7
      53.0       1.7
      61.0       4.1
      62.0       9.3
      63.0      23.9
      64.0       1.8
      73.0       1.9
      74.0       8.1
      75.0      10.5
      76.0       4.3
      77.0       2.2
      78.0       2.5
     116.0       1.0
     117.0       2.4
     118.0       1.0
     119.0       2.1
     141.0       1.8
     142.0       3.8
     143.0       3.0
     144.0       3.6
     145.0       1.2
     154.0       1.8
     155.0       3.2
     156.0       2.2
     157.0       2.7
     170.0       6.9
     171.0       2.3
     172.0       6.9
     173.0       2.5
     186.0       3.8
     188.0       3.6
     221.0      13.8
     223.0      26.9
     224.0       1.5
     225.0      13.2
     235.0       1.3
     249.0      26.5
     250.0       2.0
     251.0      51.5
     252.0       3.6
     253.0      25.5
     254.0       1.7
     264.0      51.0
     265.0       4.0
     266.0     100.0
     267.0       7.8
     268.0      48.7
     269.0       3.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Br₂ O	0.036 g : 0.5 ml CDCl₃
2,4-dibromoanisole

    Assign.     Shift(ppm)

      A             7.661
      B             7.371
      C             6.766
      D             3.870

     Hz     ppm     Int.

   3062.99   7.665    257
   3060.67   7.659    259
   2951.78   7.386    128
   2949.34   7.380    120
   2942.99   7.364    135
   2940.67   7.359    131
   2708.37   6.777    177
   2699.58   6.755    165
   1546.75   3.871   1000

in CDCl3