四溴對(duì)烯(13209-15-9)核磁圖(¹HNMR)

產(chǎn)品名稱:四溴對(duì)烯

CAS:13209-15-9

分子式:C8H6Br4

分子量: 421.75

InChI:InChI=1S/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H

InChIKey: LNAOKZKISWEZNY-UHFFFAOYSA-N

Smiles:C1(C(Br)Br)=CC=CC=C1C(Br)Br

Mass

MS-NW-1456          
alpha,alpha,alpha',alpha'-tetrabromo-o-xylene
C8H6Br4             (Mass of molecular ion:    418)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       3.2
      26.0       1.4
      27.0       2.1
      37.0       3.5
      38.0       5.8
      39.0       6.5
      49.0       3.6
      49.5       1.8
      50.0      29.1
      50.5       2.0
      51.0      53.1
      51.5       3.0
      52.0       8.1
      61.0       3.7
      62.0       7.6
      63.0      11.1
      73.0       2.1
      74.0      14.7
      75.0      23.4
      76.0      19.9
      77.0       2.7
      79.0       2.5
      80.0       3.6
      81.0       2.5
      82.0       3.7
      87.0       1.7
      90.0       7.3
      90.5       7.2
      91.0       7.4
      91.5       6.6
      98.0       2.7
      99.0       1.7
     100.0       1.8
     101.0      21.6
     102.0     100.0
     103.0       9.3
     130.0       6.3
     131.0      11.0
     131.5       1.1
     132.0       5.5
     180.0       4.2
     181.0      61.4
     182.0       9.5
     183.0      59.2
     184.0       5.7
     259.0       1.1
     260.0      19.1
     261.0       4.1
     262.0      37.0
     263.0       4.8
     264.0      18.8
     265.0       1.9
     339.0      31.8
     340.0       3.2
     341.0      92.4
     342.0       8.3
     343.0      89.8
     344.0       8.1
     345.0      29.3
     346.0       2.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₆ Br₄	0.038 g : 0.5 ml CDCl₃
alpha,alpha,alpha',alpha'-tetrabromo-o-xylene

    Assign.     Shift(ppm)

      A             7.66
      B             7.38
      C             7.131

     Hz     ppm     Int.

    692.06   7.728    178
    690.50   7.710     59
    688.56   7.689    185
    686.31   7.664    198
    684.88   7.648     92
    684.25   7.641     82
    682.69   7.623    319
    680.75   7.602     51
    680.25   7.596     53
    679.69   7.590     62
    678.94   7.581     78
    668.00   7.459    122
    664.19   7.417    456
    662.44   7.397     66
    660.69   7.378    303
    658.19   7.350    313
    656.63   7.332     53
    654.75   7.311    277
    638.69   7.132   1000

in CDCl3