5789-24-2

苯硫代乙內酰脲-色氨酸(5789-24-2)核磁圖(¹HNMR)

分子式:C18H15N3OS

分子量: 321.4

InChI:InChI=1S/C18H15N3OS/c22-17-16(10-12-11-19-15-9-5-4-8-14(12)15)20-18(23)21(17)13-6-2-1-3-7-13/h1-9,11,16,19H,10H2,(H,20,23)

InChIKey: KZXRWWVROVHSPI-UHFFFAOYSA-N

Smiles:C1(=S)NC(CC2C3=C(NC=2)C=CC=C3)C(=O)N1C1=CC=CC=C1

¹HNMR

¹³CNMR

IR1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₈ H₁₅ N₃ O S	0.034 g : 0.5 ml DMSO-d₆
5-(3-indolyl)methyl-3-phenyl-2-thioxo-4-imidazolidone

    Assign.     Shift(ppm)

      A     *1     11.0
      B     *1     10.6
      C             7.568
      D             7.368
      E             7.30
      F             7.163
      G     *2      7.087
      J     *2      6.980
      K             6.651
      L             4.721
      M     *3      3.338
      N     *3      3.230

     Hz     ppm     Int.

   4392.88  10.992    300
   4391.78  10.990    303
   4228.21  10.580    477
   3028.84   7.579    352
   3024.81   7.569     50
   3020.97   7.560    380
   2949.35   7.380    417
   2945.50   7.371     53
   2941.10   7.360    487
   2934.88   7.344     30
   2934.51   7.343     30
   2932.31   7.338     31
   2931.58   7.336     34
   2929.56   7.331     51
   2928.83   7.329     47
   2921.51   7.311    993
   2919.49   7.306   1000
   2916.19   7.297    641
   2914.55   7.293    653
   2910.33   7.283    229
   2906.67   7.274     68
   2906.12   7.272     67
   2905.02   7.269     76
   2902.64   7.263     30
   2863.99   7.167    513
   2861.61   7.161    528
   2840.73   7.109    179
   2839.81   7.106    204
   2836.88   7.099     42
   2832.85   7.089    376
   2825.71   7.071    222
   2824.79   7.069    229
   2821.86   7.061     32
   2821.50   7.060     32
   2796.95   6.999    239
   2796.22   6.997    269
   2793.11   6.989     42
   2789.08   6.979    401
   2788.34   6.977    325
   2782.12   6.962    184
   2781.20   6.960    195
   2666.90   6.674     71
   2663.06   6.664    414
   2661.23   6.659    507
   2657.75   6.651    427
   2656.65   6.648    393
   2653.35   6.640    456
   2648.22   6.627     49
   1891.19   4.733    178
   1887.53   4.723    356
   1886.80   4.722    370
   1882.59   4.711    182
   1353.60   3.387     35
   1349.02   3.376     41
   1345.54   3.367    149
   1341.33   3.357    153
   1337.12   3.346     30
   1330.70   3.330    256
   1326.49   3.320    237
   1299.02   3.251    230
   1294.44   3.239    243
   1284.18   3.214    143
   1279.60   3.202    133

in DMSO-d6