N-(2-Chlorobenzyloxycarbonyloxy)succinimide(65853-65-8) IR1

Product NameN-(2-Chlorobenzyloxycarbonyloxy)succinimide

CAS 65853-65-8

Molecular FormulaC12H10ClNO5

Molecular Weight283.66

InChIInChI=1S/C12H10ClNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-4H,5-7H2

InChIKey LVZHXYXNMHCBKC-UHFFFAOYSA-N

SmilesC(ON1C(=O)CCC1=O)(=O)OCC1=CC=CC=C1Cl

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Mass

MS-NW-9457          
N-(o-chlorobenzyloxycarbonyloxy)succinimide
C12H10ClNO5         (Mass of molecular ion:    283)

   Source Temperature: 190 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.2
      27.0       1.1
      28.0       4.7
      39.0       1.4
      44.0       2.2
      50.0       1.0
      51.0       2.2
      56.0       3.2
      63.0       2.4
      70.0       1.2
      75.0       2.1
      77.0       4.5
      89.0       7.1
      90.0       2.4
      99.0       5.9
     100.0       3.1
     111.0       2.3
     113.0       1.0
     125.0     100.0
     126.0       7.8
     127.0      32.6
     128.0       2.5
     139.0       1.1
     141.0       1.8
     283.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₀ Cl N O₅	0.044 g : 0.5 ml CDCl₃
N-(o-chlorobenzyloxycarbonyloxy)succinimide

    Assign.     Shift(ppm)

      A             7.468
      B             7.417
      C             7.32
      D             5.447
      E             2.829

     Hz     ppm     Int.

   2989.75   7.481     53
   2989.26   7.480     52
   2987.43   7.476     41
   2986.82   7.474     37
   2985.96   7.472     37
   2983.15   7.465     65
   2980.35   7.458     74
   2979.98   7.457     71
   2969.85   7.432     61
   2967.65   7.426     58
   2967.04   7.425     59
   2963.50   7.416     45
   2962.04   7.412     60
   2960.57   7.408    104
   2937.38   7.350     33
   2932.13   7.337     98
   2929.93   7.332     87
   2928.47   7.328    109
   2925.66   7.321    228
   2922.36   7.313     77
   2921.39   7.310     87
   2919.56   7.306     82
   2176.88   5.447    461
   1130.86   2.830   1000

in CDCl3