N-(Bromomethyl)phthalimide(5332-26-3) IR1

Product NameN-(Bromomethyl)phthalimide

CAS 5332-26-3

Molecular FormulaC9H6BrNO2

Molecular Weight240.05

InChIInChI=1S/C9H6BrNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2

InChIKey UUSLLECLCKTJQF-UHFFFAOYSA-N

SmilesC1(=O)C2=C(C=CC=C2)C(=O)N1CBr

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Mass

MS-IW-3868          
N-(bromomethyl)phthalimide
C9H6BrNO2           (Mass of molecular ion:    239)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      28.0       1.9
      37.0       2.3
      38.0       3.4
      49.0       1.4
      50.0      17.5
      51.0       3.3
      52.0       3.4
      66.0       5.6
      73.0       1.3
      74.0       6.5
      75.0       6.4
      76.0      22.0
      77.0       9.6
     104.0      20.8
     105.0       5.3
     130.0       1.3
     132.0       4.2
     133.0      10.7
     160.0     100.0
     161.0      10.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₆ Br N O₂	0.036 g : 0.5 ml DMSO-d₆
N-(bromomethyl)phthalimide

    Assign.     Shift(ppm)

      A             7.92
      B             7.89
      C             4.980

     Hz     ppm     Int.

   3172.49   7.939    216
   3169.43   7.931    183
   3169.07   7.930    188
   3167.48   7.926    174
   3166.38   7.923    244
   3163.57   7.916    405
   3160.03   7.907    104
   3159.42   7.906    106
   3158.69   7.904    107
   3158.08   7.903    117
   3156.37   7.898     37
   3154.54   7.894    356
   3154.17   7.893    372
   3151.86   7.887    190
   3150.63   7.884    162
   3149.17   7.880    167
   3148.68   7.879    173
   3145.75   7.872    201
   3142.33   7.863     23
   1990.48   4.981   1000

in DMSO-d6