N,N',N'',N'''-Tetraacetylglycoluril(10543-60-9) ¹³C NMR

Product NameN,N',N'',N'''-Tetraacetylglycoluril

CAS 10543-60-9

Molecular FormulaC12H14N4O6

Molecular Weight310.26

InChIInChI=1S/C12H14N4O6/c1-5(17)13-9-10(15(7(3)19)11(13)21)16(8(4)20)12(22)14(9)6(2)18/h9-10H,1-4H3

InChIKey KIHGYZTVBURVBA-UHFFFAOYSA-N

SmilesC1(=O)N(C(C)=O)C2N(C(C)=O)C(=O)N(C(C)=O)C2N1C(C)=O

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¹³CNMR

IR1

IR2

Mass

MS-NW-8536          
1,3,4,6-tetraacetylperhydroimidazo(4,5-d)imidazole-2,5-dione
C12H14N4O6          (Mass of molecular ion:    310)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      14.0       1.0
      15.0       7.2
      18.0       1.8
      28.0       6.8
      29.0       1.5
      30.0       1.1
      41.0       1.0
      42.0       5.9
      43.0     100.0
      44.0       5.4
      45.0       1.4
      55.0       1.2
      56.0       3.4
      58.0       1.2
      60.0       1.8
      69.0       1.2
      70.0       2.2
      71.0      11.9
      83.0       1.7
      84.0       5.6
      86.0       2.5
      87.0       1.8
      97.0       2.5
      98.0       3.6
      99.0      19.0
     100.0       2.3
     101.0       1.4
     113.0       3.7
     114.0       3.3
     125.0      11.3
     126.0       6.2
     141.0      29.0
     142.0      12.8
     143.0       2.1
     167.0       1.4
     168.0       1.5
     169.0       2.0
     183.0      16.8
     184.0      17.5
     185.0       3.4
     225.0       6.5
     226.0       9.8
     227.0       6.8
     267.0       2.5
     268.0       5.8
     269.0       1.5
     310.0       2.3

in DMSO-d6