4333-22-6

苯基硫代乙內(nèi)酰脲-正亮氨酸(4333-22-6)核磁圖(¹HNMR)

產(chǎn)品名稱:苯基硫代乙內(nèi)酰脲-正亮氨酸

CAS:4333-22-6

分子式:C13H16N2OS

分子量: 248.34

InChI:InChI=1S/C13H16N2OS/c1-2-3-9-11-12(16)15(13(17)14-11)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,17)

InChIKey: FJQCWUDEVCYMRZ-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₆ N₂ O S	0.031 g : 0.5 ml DMSO-d₆
5-butyl-3-phenyl-2-thioxo-4-imidazolidone

    Assign.     Shift(ppm)

      A            10.6
      B             7.481
      C             7.434
      D             7.282
      E             4.426
      F     *1      1.82
      G     *1      1.75
      J             1.35
      K             0.895

     Hz     ppm     Int.

   4239.39  10.608    315
   3001.00   7.510    131
   2999.53   7.506    236
   2997.70   7.501    113
   2994.22   7.493    139
   2992.39   7.488    642
   2990.74   7.484    345
   2986.35   7.473    243
   2984.88   7.469    573
   2984.33   7.468    450
   2982.32   7.463    111
   2977.37   7.450    173
   2975.91   7.447    352
   2974.44   7.443    228
   2971.14   7.435    120
   2968.58   7.428    346
   2965.83   7.422     81
   2962.72   7.414     72
   2961.25   7.410    109
   2959.97   7.407     63
   2908.13   7.277    488
   2906.67   7.274    754
   2904.47   7.268    189
   2901.17   7.260    280
   2899.71   7.256    548
   2899.16   7.255    480
   2898.43   7.253    483
   2895.68   7.246     74
   1775.80   4.444    121
   1774.70   4.441    131
   1769.21   4.427    242
   1767.92   4.424    182
   1764.08   4.415    136
   1762.79   4.411    139
    741.64   1.856     34
    737.79   1.847     41
    736.33   1.843     42
    733.03   1.835     69
    727.72   1.821     98
    723.51   1.811     87
    722.96   1.809     88
    718.20   1.798     87
    712.52   1.783     78
    709.40   1.776     38
    706.29   1.768     76
    705.19   1.765     66
    704.64   1.764     66
    702.63   1.759     65
    701.53   1.756     61
    699.33   1.750     95
    696.95   1.744    100
    689.99   1.727     92
    684.86   1.714     40
    682.84   1.709     54
    676.07   1.692     34
    573.49   1.435     36
    570.56   1.428     31
    567.08   1.419     76
    565.07   1.414     92
    559.57   1.401    155
    557.01   1.394    112
    553.90   1.386    165
    549.68   1.376    189
    548.58   1.373    193
    546.20   1.367    152
    542.91   1.359    202
    540.52   1.353    209
    537.41   1.345    175
    534.85   1.339    233
    533.93   1.336    223
    527.89   1.321    207
    523.12   1.309    113
    520.93   1.304    111
    516.71   1.293     80
    513.60   1.286     37
    509.94   1.276     30
    364.32   0.912    563
    357.17   0.894   1000
    350.03   0.876    412

in DMSO-d6