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1013-01-0

1,3-dimethyl-2,4-(1H,3H)-quinazolinedione

Product Name 1,3-dimethyl-2,4-(1H,3H)-quinazolinedione

CAS1013-01-0

MFC10H10N2O2

MW190.2

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  • 1013-01-0_ms_1
    Mass

    MS-IW-7334          
    1,3-dimethyl-2,4(1H,3H)-quinazolinedione
    C10H10N2O2          (Mass of molecular ion:    190)
    

       Source Temperature: 150 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          28.0       1.5
          39.0       1.7
          50.0       2.0
          51.0       3.8
          51.5       1.2
          52.0       1.1
          63.0       3.2
          64.0       3.2
          66.5       1.1
          75.0       1.0
          76.0       2.0
          77.0      10.3
          78.0       9.3
          79.0       1.1
          90.0       2.5
          92.0       3.4
          95.0       1.3
         104.0      32.6
         105.0      57.3
         106.0       5.0
         132.0       5.9
         133.0      28.1
         134.0       3.7
         161.0       2.1
         162.0       7.8
         175.0       1.7
         176.0       1.0
         190.0     100.0
         191.0      11.9
         192.0       1.0
    

parameter in DMSO-d6

  • 1013-01-0_1hnmr_0

    1H NMR 300 MHz
    C10 H10 N2 O2 in DMSO-d6
    1,3-dimethyl-2,4(1H,3H)-quinazolinedione
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.98 D(B) 7.23 D(C) 7.71 D(D) 7.34 J(A,B) 7.7 J(A,C) 1.7 J(A,D) 0.0 J(B,C) 7.2 J(B,D) 1.2 J(C,D) 8.2 D(E) 4.55 D(F) 3.27 KHALIFE-EL-SALEH,M. ET AL. BULL.SOC.CHIM.FR. 1974, 1667

         Hz     ppm     Int.
    

       2398.77   7.996     86
       2397.11   7.990     89
       2391.08   7.970     92
       2389.42   7.965     96
       2321.77   7.739     41
       2320.11   7.734     40
       2314.56   7.715     55
       2313.51   7.712     70
       2311.94   7.706     55
       2306.39   7.688     53
       2304.73   7.682     51
       2206.57   7.355    100
       2205.39   7.351    107
       2198.36   7.328     88
       2197.18   7.324     91
       2176.86   7.256     55
       2175.72   7.252     52
       2169.30   7.231     85
       2168.42   7.228     82
       2162.00   7.207     46
       2160.82   7.203     44
       1365.02   4.550   1000
        981.02   3.270   1000
    

KBr disc

  • 1013-01-0_ir1_2

nujol mull

  • 1013-01-0_ir2_1

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