99-81-0

2-Bromo-4'-nitroacetophenone(99-81-0) IR2

Product Name2-Bromo-4'-nitroacetophenone

CAS 99-81-0

Molecular FormulaC8H6BrNO3

Molecular Weight244.04

InChIInChI=1S/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2

InChIKey MBUPVGIGAMCMBT-UHFFFAOYSA-N

SmilesC(=O)(C1=CC=C([N+]([O-])=O)C=C1)CBr

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2-Bromo-4'-nitroacetophenone(99-81-0) IR2
Mass

MS-IW-0092          
2-bromo-4'-nitroacetophenone
C8H6BrNO3           (Mass of molecular ion:    243)

   Source Temperature: 180 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.3
      30.0       2.0
      42.0       1.4
      50.0       5.2
      51.0       1.1
      63.0       1.8
      64.0       1.7
      74.0       1.9
      75.0       3.3
      76.0       7.6
      78.0       1.3
      89.0       2.8
      90.0       2.0
      92.0       5.3
     104.0      17.5
     105.0       1.4
     120.0       7.4
     134.0       1.6
     150.0     100.0
     151.0       8.2
     243.0       2.0
     245.0       1.9

400 MHz in CDCl3

2-Bromo-4'-nitroacetophenone(99-81-0) IR2

¹H NMR	399.65 MHz
C₈ H₆ Br N O₃	0.033 g : 0.5 ml CDCl₃
2-bromo-4'-nitroacetophenone

    Assign.     Shift(ppm)

      A             8.354
      B             8.173
      C             4.482

     Hz     ppm     Int.

   3346.07   8.373     44
   3343.87   8.367    267
   3341.80   8.362     97
   3336.91   8.350    112
   3334.72   8.345    338
   3332.64   8.339     54
   3272.83   8.190     59
   3270.75   8.185    340
   3268.55   8.179    110
   3263.67   8.167    100
   3261.60   8.162    277
   3259.40   8.156     39
   1791.26   4.483   1000

in CDCl3