6843-49-8

5-甲基-5-苯基乙內(nèi)酰脲(6843-49-8)質(zhì)譜(MS)

產(chǎn)品名稱:5-甲基-5-苯基乙內(nèi)酰脲

CAS:6843-49-8

分子式:C10H10N2O2

分子量: 190.2

InChI:InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)

InChIKey: JNGWGQUYLVSFND-UHFFFAOYSA-N

Smiles:C1(=O)NC(C)(C2=CC=CC=C2)C(=O)N1

Mass

MS-NW-7237          
5-methyl-5-phenyl-2,4-imidazolidinedione
C10H10N2O2          (Mass of molecular ion:    190)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       1.4
      18.0       4.0
      27.0       2.0
      28.0       1.4
      38.0       1.2
      39.0       4.5
      41.0       2.6
      42.0      16.4
      43.0       1.4
      44.0       1.4
      50.0       6.9
      51.0      18.1
      52.0       8.5
      58.5       1.4
      62.0       1.2
      63.0       2.9
      65.0       1.9
      70.0       3.0
      74.0       2.3
      75.0       2.1
      76.0       4.4
      77.0      28.3
      78.0      10.9
      89.0       1.2
      91.0       3.0
      92.0       1.6
     102.0       1.8
     103.0       7.9
     104.0     100.0
     105.0       9.2
     113.0       1.2
     118.0       2.7
     119.0      39.3
     120.0       3.9
     132.0       6.2
     146.0       5.3
     147.0       7.9
     161.0      11.9
     162.0       5.7
     175.0      77.6
     176.0       8.3
     190.0      22.8
     191.0       3.0

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₁₀ H₁₀ N₂ O₂	0.039 g : 0.5 ml DMSO-d₆
5-methyl-5-phenyl-2,4-imidazolidinedione

    Assign.     Shift(ppm)

      A     *1     10.7
      B     *1      8.59
      C          7.56 to 7.280
      D             1.658

     Hz     ppm     Int.

    961.39  10.735     46
    769.13   8.588    137
    677.36   7.564     36
    675.22   7.540     49
    673.85   7.525     71
    673.25   7.518     66
    672.06   7.505    127
    671.12   7.494    130
    669.84   7.480    118
    668.64   7.466    273
    668.04   7.460    203
    666.76   7.445    430
    665.14   7.427    201
    664.45   7.420    268
    663.51   7.409    388
    662.74   7.400    385
    660.78   7.379    228
    658.81   7.357    169
    657.53   7.342    253
    655.05   7.315    179
    653.69   7.299     67
    653.17   7.294     72
    652.15   7.282     56
    148.60   1.660   1000

DMSO-d6