5731-01-1

4-Acetyl-4'-bromobiphenyl(5731-01-1) IR1

Product Name4-Acetyl-4'-bromobiphenyl

CAS 5731-01-1

Molecular FormulaC14H11BrO

Molecular Weight275.14

InChIInChI=1S/C14H11BrO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,1H3

InChIKey UUVKNCRMWPNBNM-UHFFFAOYSA-N

SmilesC(=O)(C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C

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4-Acetyl-4'-bromobiphenyl(5731-01-1) IR1
Mass

MS-IW-9333          
4'-(p-bromophenyl)acetophenone
C14H11BrO           (Mass of molecular ion:    274)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      28.0       3.1
      39.0       1.8
      43.0      19.3
      50.0       4.6
      51.0       4.9
      62.0       2.7
      63.0       9.5
      74.0       4.5
      75.0      10.2
      75.5       4.9
      76.0      42.9
      76.5       5.5
      77.0       2.5
      82.0       2.5
      82.5       1.7
      83.0       1.6
      86.0       1.3
      87.0       1.9
      88.0       1.0
      90.0       2.7
      98.0       1.8
      99.0       2.1
     100.0       1.1
     101.0       3.1
     102.0       2.7
     113.0       1.0
     123.0       2.1
     124.0       2.0
     125.0       2.3
     126.0       6.9
     127.0       1.1
     129.5       8.8
     130.0       1.4
     130.5       8.7
     131.0       1.4
     150.0       9.2
     151.0      17.8
     152.0     100.0
     153.0      13.7
     165.0       3.3
     180.0       1.6
     181.0       1.2
     223.0       1.2
     231.0       3.9
     232.0       1.2
     233.0       3.9
     259.0      86.4
     260.0      12.7
     261.0      84.9
     262.0      12.1
     263.0       1.1
     274.0      44.0
     275.0       7.0
     276.0      42.7
     277.0       6.4

400 MHz in CDCl3

4-Acetyl-4'-bromobiphenyl(5731-01-1) IR1

¹H NMR	399.65 MHz
C₁₄ H₁₁ Br O	0.041 g : 0.5 ml CDCl₃
4'-(p-bromophenyl)acetophenone

    Assign.     Shift(ppm)

      A             8.019
      B             7.632
      C             7.580
      D             7.477
      E             2.629

     Hz     ppm     Int.

   3211.43   8.036     38
   3209.47   8.031    202
   3208.98   8.030    140
   3207.52   8.026     70
   3202.88   8.015     74
   3200.81   8.010    229
   3198.97   8.005     36
   3056.15   7.648     43
   3054.32   7.643    227
   3052.25   7.638     74
   3047.61   7.626     72
   3045.65   7.621    207
   3043.70   7.616     35
   3034.79   7.594    193
   3032.71   7.589     71
   3028.20   7.578     83
   3026.00   7.572    272
   3023.68   7.566     42
   2994.38   7.493     44
   2991.94   7.487    271
   2989.87   7.482     79
   2985.23   7.470     66
   2983.15   7.465    183
   1053.47   2.636     39
   1050.66   2.629   1000

in CDCl3