4399-40-0

苯基硫代乙內(nèi)酰脲-亮氨酸(4399-40-0)紅外圖譜(IR1)

產(chǎn)品名稱:苯基硫代乙內(nèi)酰脲-亮氨酸

CAS:4399-40-0

分子式:C13H16N2OS

分子量: 248.34

InChI:InChI=1S/C13H16N2OS/c1-9(2)8-11-12(16)15(13(17)14-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)

InChIKey: FMVWVPAXPVSWER-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₆ N₂ O S	0.037 g : 0.5 ml DMSO-d₆
5-isobutyl-3-phenyl-2-thioxo-4-imidazolidone

    Assign.     Shift(ppm)

      A            10.7
      B             7.482
      C             7.431
      D             7.270
      E             4.453
      F             1.908
      G             1.649
      J     *1      0.936
      K     *1      0.929

     Hz     ppm     Int.

   4260.82  10.662    232
   3000.45   7.508     98
   2998.99   7.505    179
   2997.15   7.500     87
   2991.84   7.487    465
   2990.38   7.483    260
   2985.80   7.472    179
   2984.33   7.468    406
   2981.77   7.461     86
   2976.27   7.448    126
   2974.81   7.444    241
   2973.52   7.441    163
   2970.04   7.432     88
   2967.66   7.426    254
   2964.73   7.419     62
   2961.62   7.411     53
   2960.34   7.408     78
   2959.05   7.405     44
   2910.70   7.284    360
   2909.23   7.280    557
   2907.04   7.274    144
   2903.74   7.266    208
   2902.27   7.263    389
   2900.99   7.259    341
   2898.43   7.253     56
   1787.34   4.473     89
   1786.24   4.470     94
   1780.01   4.454    184
   1773.78   4.439     97
   1772.50   4.436     99
    777.54   1.946     37
    770.95   1.930     70
    763.44   1.911     92
    756.84   1.894     85
    750.07   1.877     50
    665.81   1.666    212
    659.22   1.650    329
    657.57   1.646    195
    652.44   1.633    168
    651.52   1.631    179
    377.51   0.945    992
    374.76   0.938   1000
    370.91   0.929    992
    368.16   0.922    949
    356.99   0.894     30

in DMSO-d6