4332-95-0

苯基硫代乙內(nèi)酰脲-酪氨酸(4332-95-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:苯基硫代乙內(nèi)酰脲-酪氨酸

CAS:4332-95-0

分子式:C16H14N2O2S

分子量: 298.36

InChI:InChI=1S/C16H14N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18(16(21)17-14)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H,17,21)

InChIKey: LCFDDJINTNHAEQ-UHFFFAOYSA-N

Smiles:C1(=S)NC(CC2=CC=C(O)C=C2)C(=O)N1C1=CC=CC=C1

¹HNMR

¹³CNMR

IR1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₆ H₁₄ N₂ O₂ S	0.034 g : 0.5 ml DMSO-d₆
5-(p-hydroxybenzyl)-3-phenyl-2-thioxo-4-imidazolidone

    Assign.     Shift(ppm)

      A            10.6
      B             9.43
      C             7.46
      D             7.078
      E             6.906
      F             6.776
      G             4.757
      J     *1      3.095
      K     *1      3.078

     Hz     ppm     Int.

   4254.77  10.647    324
   3769.93   9.434   1000
   2997.70   7.501     86
   2996.05   7.497     55
   2994.59   7.494    135
   2992.76   7.489     77
   2990.74   7.484     89
   2988.73   7.479    388
   2985.25   7.470    174
   2983.42   7.466    377
   2981.40   7.461    850
   2979.57   7.456    290
   2978.47   7.453    185
   2975.91   7.447    163
   2974.62   7.444    133
   2969.31   7.430     51
   2967.66   7.426     50
   2836.15   7.097     65
   2833.40   7.090    533
   2831.57   7.086    193
   2826.81   7.074    202
   2824.98   7.069    627
   2822.23   7.062     92
   2765.45   6.920    372
   2763.43   6.915    337
   2761.42   6.910    150
   2759.04   6.904    180
   2757.39   6.900    409
   2755.74   6.896    366
   2752.63   6.888     52
   2715.08   6.794     82
   2712.33   6.787    705
   2710.31   6.782    221
   2707.93   6.776     53
   2705.74   6.771    204
   2703.72   6.766    652
   2700.97   6.759     84
   1905.30   4.768    119
   1901.45   4.758    256
   1896.69   4.746    120
   1247.36   3.122     32
   1237.29   3.096    257
   1234.73   3.090    297
   1233.81   3.088    295
   1230.51   3.079    245
   1220.99   3.056     37
   1216.41   3.044     30

in DMSO-d6