523-27-3

9,10-Dibromoanthracene(523-27-3) MS

Product Name9,10-Dibromoanthracene

CAS 523-27-3

Molecular FormulaC14H8Br2

Molecular Weight336.02

InChIInChI=1S/C14H8Br2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H

InChIKey BRUOAURMAFDGLP-UHFFFAOYSA-N

SmilesC1=C2C(C(Br)=C3C(=C2Br)C=CC=C3)=CC=C1

Request For Quotation

9,10-Dibromoanthracene(523-27-3) MS
Mass

MS-NW-2470          
9,10-dibromoanthracene
C14H8Br2            (Mass of molecular ion:    334)

   Source Temperature: 220 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       3.7
      18.0      18.3
      28.0       4.4
      39.0       1.6
      44.0       3.5
      50.0       2.5
      51.0       2.1
      61.0       1.9
      61.5       1.0
      62.0       4.1
      63.0       3.0
      73.0       1.5
      74.0       8.4
      74.5       1.9
      75.0      12.5
      75.5       1.2
      76.0       2.1
      85.0       1.8
      86.0       3.5
      87.0      15.5
      87.5       9.8
      88.0      47.3
      88.5       7.1
      98.0       5.1
      99.0       4.1
     100.0       1.5
     110.0       1.9
     111.0       2.0
     122.0       2.6
     123.0       2.0
     124.0       1.1
     125.0       1.2
     126.0       2.7
     127.0       3.0
     127.5       2.0
     128.0       3.5
     128.5       1.7
     149.0       5.1
     150.0      12.1
     151.0       2.2
     167.0       6.2
     167.5       1.1
     168.0      11.8
     168.5       1.8
     169.0       5.7
     173.0       1.0
     174.0      15.3
     175.0      16.9
     176.0     100.0
     177.0      15.6
     178.0       1.5
     254.0       2.1
     255.0       7.4
     256.0       4.1
     257.0       7.6
     258.0       2.1
     334.0      26.4
     335.0       4.3
     336.0      54.6
     337.0       9.1
     338.0      27.7
     339.0       4.0

400 MHz at 50C

parameter in CDCl3

9,10-Dibromoanthracene(523-27-3) MS

¹H NMR	399.65 MHz
C₁₄ H₈ Br₂	0.030 g : 0.5 ml CDCl₃ at 50 C
9,10-dibromoanthracene

    Assign.     Shift(ppm)

      A             8.559
      B             7.594

     Hz     ppm     Int.

   3429.93   8.583     90
   3428.71   8.580    124
   3425.90   8.573    814
   3422.73   8.565    620
   3419.07   8.556    610
   3415.89   8.548    886
   3413.09   8.541    121
   3411.99   8.538     95
   3044.07   7.617    104
   3042.85   7.614    140
   3040.16   7.608   1000
   3036.87   7.599    682
   3033.20   7.590    705
   3030.03   7.582    984
   3027.34   7.575    122
   3026.12   7.572     93

9,10-Dibromoanthracene(523-27-3) MS

¹H NMR	300 MHz
C₁₄ H₈ Br₂	in CDCl₃
9,10-dibromoanthracene

    Parameter     ppm  Hz

      D(A)         8.59
      D(B)         7.63
       J(A,A')         0.3
       J(A,B)          9.2
       J(A,B')         1.1
       J(A',B)         1.1
       J(A',B')        9.2
       J(B,B')         6.3
     
     SHRPLESS,N.E. ET AL. ORG.MAGN.RESON. 6, 115 (1974)

     Hz     ppm     Int.

   2585.16   8.617    141
   2582.22   8.607    932
   2579.06   8.597    769
   2575.10   8.584    769
   2571.94   8.573   1000
   2568.93   8.563    164
   2297.08   7.657    166
   2294.08   7.647   1000
   2290.91   7.636    773
   2286.95   7.623    771
   2283.78   7.613    933
   2280.84   7.603    142

in CDCl3