51169-17-6

5-(4-甲基苯基)5-苯基乙內(nèi)酰脲(51169-17-6)Raman光譜

產(chǎn)品名稱(chēng):5-(4-甲基苯基)5-苯基乙內(nèi)酰脲

CAS:51169-17-6

分子式:C16H14N2O2

分子量: 266.29

InChI:InChI=1S/C16H14N2O2/c1-11-7-9-13(10-8-11)16(12-5-3-2-4-6-12)14(19)17-15(20)18-16/h2-10H,1H3,(H2,17,18,19,20)

InChIKey: WPAPSGQWYNPWCZ-UHFFFAOYSA-N

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

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₆ H₁₄ N₂ O₂	0.035 g : 0.5 ml DMSO-d₆
5-phenyl-5-(p-tolyl)-2,4-imidazolidinedione

    Assign.     Shift(ppm)

      A     *1     11.1
      B     *1      9.29
      C          7.40 to 7.34
      D             7.251
      E             7.206
      F             2.288

     Hz     ppm     Int.

   4434.82  11.097     77
   4434.46  11.096     77
   3712.60   9.290    309
   2964.18   7.417     50
   2962.90   7.414     69
   2961.25   7.410     35
   2957.04   7.400    130
   2955.76   7.396    192
   2954.29   7.393    168
   2951.54   7.386     76
   2948.80   7.379    445
   2947.33   7.375    310
   2944.95   7.369    520
   2941.84   7.362     77
   2939.64   7.356    205
   2938.17   7.352    227
   2935.98   7.347     92
   2934.14   7.342     68
   2931.40   7.335    144
   2927.92   7.327     34
   2926.82   7.324     33
   2924.62   7.318     45
   2903.19   7.265    219
   2901.54   7.261     89
   2896.78   7.249    149
   2894.95   7.244    519
   2882.67   7.213    412
   2874.25   7.192    185
    914.73   2.289   1000

¹H NMR	89.56 MHz
C₁₆ H₁₄ N₂ O₂	0.039 g : 0.5 ml DMSO-d₆
5-phenyl-5-(p-tolyl)-2,4-imidazolidinedione

    Assign.     Shift(ppm)

      A     *1     11.04
      B     *1      9.24
      C             7.36
      D             7.23
      E             2.286

     Hz     ppm     Int.

    989.33  11.047     75
    827.66   9.242    133
    666.76   7.445     27
    664.97   7.425     41
    659.58   7.365   1000
    656.59   7.332    109
    655.22   7.316     63
    654.03   7.303     45
    653.43   7.297     47
    652.66   7.288     48
    647.36   7.229    661
    640.87   7.156     28
    640.19   7.149     26
    639.07   7.136     27
    638.65   7.131     27
    638.22   7.127     29
    637.54   7.119     32
    204.82   2.287    559

DMSO-d6