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86-96-4

Benzoyleneurea

Product Name Benzoyleneurea

CAS86-96-4

MFC8H6N2O2

MW162.15

More

  • 86-96-4_ms
    Mass

    MS-NW-6285          
    2,4(1H,3H)-quinazolinedione
    C8H6N2O2            (Mass of molecular ion:    162)
    

       Source Temperature: 190 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          18.0       2.7
          28.0       1.8
          37.0       3.8
          38.0       6.4
          39.0       6.8
          40.0       1.2
          41.0       2.4
          43.0       1.1
          44.0       1.7
          44.5       1.5
          45.5       5.0
          50.0       4.2
          51.0       2.8
          52.0       5.5
          53.0       1.2
          59.5       3.1
          61.0       2.1
          62.0       4.3
          63.0      14.6
          64.0      18.0
          65.0       4.6
          67.0       2.3
          70.0       1.1
          74.0       1.4
          75.0       1.3
          76.0       2.3
          77.0       1.0
          81.0       1.4
          89.0       1.3
          90.0       8.2
          91.0      12.0
          92.0      47.4
          93.0       3.3
         106.0       1.4
         116.0       1.8
         118.0       1.3
         119.0      86.2
         120.0       7.7
         133.0       1.4
         144.0       4.3
         162.0     100.0
         163.0       9.6
    

400 MHz in DMSO-d6

parameter in DMSO-d6

  • 86-96-4_1hnmr_2

    1H NMR 399.65 MHz
    C8 H6 N2 O2 0.039 g : 0.5 ml DMSO-d6
    2,4(1H,3H)-quinazolinedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.3 B 7.931 C 7.665 D 7.209 E 7.207

         Hz     ppm     Int.
    

       4501.32  11.264    267
       3175.01   7.945    676
       3173.36   7.941    731
       3169.33   7.931    107
       3166.77   7.924    753
       3165.48   7.921    759
       3072.25   7.688    356
       3070.60   7.684    374
       3068.04   7.677     50
       3064.74   7.669    533
       3064.01   7.667    641
       3062.54   7.664    507
       3056.68   7.649    443
       3055.22   7.645    437
       2887.80   7.226    649
       2885.60   7.221    874
       2884.51   7.218    869
       2880.66   7.208   1000
       2877.36   7.200    777
       2876.45   7.198    793
       2873.52   7.191    533
       2872.60   7.188    395
       2868.57   7.178     33
    

  • 86-96-4_1hnmr

    1H NMR 300 MHz
    C8 H6 N2 O2 in DMSO-d6
    2,4(1H,3H)-quinazolinedione
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.90 D(B) 7.16 D(C) 7.63 D(D) 7.18 J(A,B) 7.9 J(A,C) 1.5 J(A,D) 0.0 J(B,C) 7.5 J(B,D) 1.0 J(C,D) 8.0 D(E) 11.23 D(F) 11.01 KHALIFE-EL-SALEH,M. ET AL. BULL.SOC.CHIM.FR. 1974, 1667

         Hz     ppm     Int.
    

       3369.01  11.230   1000
       3302.99  11.010   1000
       2374.73   7.916    259
       2373.27   7.911    269
       2366.97   7.890    274
       2365.44   7.885    286
       2297.70   7.659    127
       2296.25   7.654    124
       2289.71   7.632    218
       2288.64   7.629    224
       2282.22   7.607    159
       2280.73   7.602    153
       2158.39   7.195    271
       2157.51   7.192    400
       2155.91   7.186    256
       2150.37   7.168    268
       2149.41   7.165    392
       2148.38   7.161    376
       2140.63   7.135    150
       2139.71   7.132    135
    

in DMSO-d6

  • 86-96-4_13cnmr

KBr disc

  • 86-96-4_ir1_2

nujol mull

  • 86-96-4_ir2

  • 86-96-4_raman