Product Name2-BROMOBENZYLSUCCINIMIDOCARBONATE

CAS

Molecular FormulaC12H10BrNO5

Molecular Weight328.1155

InChIInChI=1S/C12H10BrNO5/c13-9-4-2-1-3-7(9)5-8-6-10(15)14(11(8)16)19-12(17)18/h1-4,8H,5-6H2,(H,17,18)

InChIKey HOYOSDNZSQSTPK-UHFFFAOYSA-N

SmilesC(O)(=O)ON1C(=O)CC(CC2=CC=CC=C2Br)C1=O

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Mass

MS-IW-4859          
2-bromobenzyl succinimido carbonate
C12H10BrNO5         (Mass of molecular ion:    327)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      27.0       1.3
      28.0       5.3
      39.0       1.5
      42.0       1.1
      44.0       3.6
      50.0       2.0
      51.0       3.4
      55.0       1.3
      56.0       4.6
      63.0       3.1
      64.0       1.2
      70.0       1.5
      75.0       2.2
      76.0       2.5
      77.0       6.3
      78.0       2.8
      89.0       9.3
      90.0      16.5
      91.0       1.6
      99.0       4.4
     100.0       4.5
     107.0       1.4
     155.0       2.3
     157.0       2.5
     169.0     100.0
     170.0       8.1
     171.0      98.9
     172.0       7.8
     183.0       1.8
     184.0       1.7
     185.0       3.1
     186.0       2.3
     187.0       1.4
     248.0      10.7
     249.0       1.4
     327.0       3.9
     329.0       3.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₀ Br N O₅	0.041 g : 0.5 ml CDCl₃
2-bromobenzyl succinimido carbonate

    Assign.     Shift(ppm)

      A             7.603
      B             7.463
      C             7.361
      D             7.251
      E             5.427
      F             2.833

     Hz     ppm     Int.

   3043.33   7.615     80
   3042.11   7.612     81
   3035.40   7.596     90
   3034.18   7.593     91
   2987.92   7.477     51
   2986.45   7.473     53
   2980.22   7.458     74
   2978.76   7.454     75
   2950.20   7.382     47
   2948.97   7.379     47
   2942.63   7.364     89
   2941.41   7.360     86
   2935.06   7.345     47
   2933.84   7.342     44
   2906.01   7.272     99
   2904.17   7.267     50
   2897.95   7.252     66
   2896.61   7.248     62
   2890.38   7.233     33
   2888.67   7.229     31
   2168.95   5.428    432
   1132.45   2.834   1000

in CDCl3

KBr disc

nujol mull

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