4332-97-2

苯基硫代乙內(nèi)酰脲-苯丙氨酸(4332-97-2)核磁圖(¹HNMR)

產(chǎn)品名稱:苯基硫代乙內(nèi)酰脲-苯丙氨酸

CAS:4332-97-2

分子式:C16H14N2OS

分子量: 282.36

InChI:InChI=1S/C16H14N2OS/c19-15-14(11-12-7-3-1-4-8-12)17-16(20)18(15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,20)

InChIKey: HIDCDSHFIITFOM-UHFFFAOYSA-N

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

Mass

MS-IW-9711          
5-benzyl-3-phenyl-2-thioxo-4-imidazolidone
C16H14N2OS          (Mass of molecular ion:    282)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      28.0       4.0
      39.0       1.9
      50.0       1.1
      51.0       4.5
      59.0       1.3
      63.0       1.2
      65.0       4.4
      76.0       1.1
      77.0      13.6
      78.0       3.1
      89.0       1.1
      90.0       1.2
      91.0     100.0
      92.0       9.5
      93.0       1.0
     103.0       3.1
     104.0       3.6
     109.0       1.5
     117.0       1.3
     118.0       1.4
     119.0       1.3
     128.0       1.3
     131.0       1.2
     135.0       6.9
     136.0      10.3
     137.0       1.2
     191.0       5.5
     204.0       1.1
     249.0       3.2
     253.0       1.1
     282.0      28.9
     283.0       5.5
     284.0       1.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₆ H₁₄ N₂ O S	0.034 g : 0.5 ml DMSO-d₆
5-benzyl-3-phenyl-2-thioxo-4-imidazolidone

    Assign.     Shift(ppm)

      A            10.6
      B             7.37
      C             7.31
      D             7.21
      E             6.782
      F             4.769
      G             3.125

     Hz     ppm     Int.

   4247.26  10.628    343
   2960.89   7.409    114
   2959.24   7.405     70
   2957.41   7.401    177
   2955.76   7.396    107
   2954.11   7.392    108
   2951.91   7.387    495
   2948.06   7.377    263
   2947.15   7.375    393
   2944.77   7.369   1000
   2943.12   7.365    417
   2942.20   7.362    244
   2939.64   7.356    203
   2938.17   7.352    160
   2934.69   7.344    104
   2933.05   7.340    120
   2931.03   7.334    157
   2929.38   7.330    113
   2928.28   7.328     99
   2925.72   7.321    432
   2924.99   7.319    365
   2924.07   7.317    289
   2921.69   7.311    379
   2920.59   7.308    435
   2918.57   7.303    872
   2917.48   7.301    503
   2914.18   7.292    210
   2912.90   7.289    162
   2907.95   7.277     62
   2906.30   7.273     51
   2892.02   7.237     41
   2887.80   7.226    534
   2885.42   7.220    416
   2883.59   7.216    215
   2882.86   7.214    212
   2881.94   7.212    226
   2880.11   7.207    412
   2878.46   7.203    342
   2875.53   7.196     53
   2715.99   6.796    477
   2713.79   6.791    399
   2711.96   6.786    191
   2707.93   6.776    499
   2706.28   6.772    442
   2702.99   6.764     64
   1910.24   4.780    150
   1906.58   4.771    328
   1905.66   4.769    325
   1901.82   4.759    155
   1251.21   3.131    578
   1246.81   3.120    553

in DMSO-d6