10567-86-9

苯基硫代乙内酰脲-谷氨酰胺(10567-86-9)红外图谱(IR1)

产品名称:苯基硫代乙内酰脲-谷氨酰胺

CAS:10567-86-9

分子式:C12H13N3O2S

分子量: 263.32

InChI:InChI=1S/C12H13N3O2S/c13-10(16)7-6-9-11(17)15(12(18)14-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H,14,18)

InChIKey: UNCINZHSIAEDPO-UHFFFAOYSA-N

Smiles:C1(=S)N(C2=CC=CC=C2)C(=O)C(CCC(N)=O)N1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-2059          
5-(2-carbamoylethyl)-3-phenyl-2-thioxo-4-imidazolidone
C12H13N3O2S         (Mass of molecular ion:    263)

   Source Temperature: 200 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      14.0       1.8
      15.0       1.8
      16.0       3.4
      17.0       5.4
      18.0      25.0
      26.0       8.2
      27.0      18.2
      28.0      21.4
      29.0       1.9
      30.0       2.0
      32.0       7.9
      33.0       3.4
      34.0      10.2
      37.0       3.4
      38.0       7.3
      39.0      19.9
      40.0       6.8
      41.0      21.4
      42.0       6.9
      43.0       7.6
      44.0      15.7
      45.0       3.6
      50.0      10.8
      51.0      34.4
      52.0      10.2
      53.0       7.9
      54.0      14.0
      55.0      14.9
      56.0       8.0
      57.0       1.8
      58.0       2.9
      59.0      39.4
      60.0       2.9
      61.0       1.4
      62.0       1.9
      63.0       6.5
      64.0       9.7
      65.0       9.7
      66.0       7.7
      67.0       2.9
      68.0       3.0
      69.0       1.9
      70.0       8.2
      71.0       2.4
      72.0       3.7
      73.0       4.4
      74.0       2.6
      75.0       3.4
      76.0       9.4
      77.0     100.0
      78.0      11.1
      79.0       1.4
      80.0       3.4
      81.0       4.0
      82.0       4.1
      83.0       6.9
      84.0       8.0
      85.0       6.9
      86.0      14.1
      87.0       1.5
      88.0       1.5
      89.0       1.6
      90.0       3.5
      91.0      13.5
      92.0       8.3
      93.0      34.8
      94.0       5.5
      95.0       3.6
      96.0       1.4
      97.0       1.7
      98.0       5.8
      99.0       6.1
     100.0       2.3
     101.0       1.2
     102.0       1.0
     103.0      17.7
     104.0      45.0
     105.0       9.7
     106.0       2.6
     108.0       9.6
     109.0      13.0
     110.0       2.4
     111.0      13.8
     112.0       4.2
     116.0       1.1
     117.0       7.3
     118.0       7.4
     119.0      14.3
     120.0      13.4
     121.0       1.4
     123.0       1.0
     124.0       1.4
     125.0       2.2
     126.0       4.6
     127.0       1.9
     128.0       2.0
     129.0       1.3
     130.0       4.0
     131.0       2.7
     132.0       2.5
     133.0       2.1
     134.0       1.7
     135.0      72.9
     136.0      33.2
     137.0       6.1
     138.0       1.7
     142.0       1.7
     143.0       2.1
     144.0       2.5
     145.0       4.9
     146.0       6.6
     147.0       1.8
     149.0       1.1
     150.0       1.4
     151.0       2.5
     156.0       1.3
     157.0       2.5
     158.0       2.5
     159.0       2.2
     160.0       4.2
     161.0       1.4
     162.0       1.1
     163.0       1.5
     168.0       1.5
     170.0       1.7
     171.0       1.4
     172.0       7.5
     173.0       3.0
     174.0       1.7
     175.0       3.3
     176.0       1.3
     184.0       2.4
     185.0       3.1
     186.0       6.7
     187.0       5.0
     188.0       2.2
     189.0       5.5
     190.0       1.2
     191.0       2.7
     192.0       7.6
     193.0       1.1
     201.0       1.2
     202.0       2.5
     203.0      24.2
     204.0      49.9
     205.0      25.1
     206.0       5.2
     207.0       1.3
     211.0       2.4
     212.0       3.2
     213.0       3.6
     214.0       6.5
     215.0       1.4
     216.0       6.4
     217.0       8.6
     218.0      21.0
     219.0       3.7
     220.0       1.7
     229.0       3.1
     230.0       1.1
     231.0       2.5
     242.0       1.4
     243.0       6.6
     244.0      16.3
     245.0      33.0
     246.0      59.4
     247.0       9.8
     248.0       3.5
     261.0       4.5
     263.0      51.2
     264.0       7.8
     265.0       3.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₃ N₃ O₂ S	0.035 g : 0.5 ml DMSO-d₆
5-(2-carbamoylethyl)-3-phenyl-2-thioxo-4-imidazolidone

    Assign.     Shift(ppm)

      A            10.6
      B             7.485
      C             7.44
      D     *1      7.40
      E             7.296
      F     *1      6.88
      G             4.464
      J     *2      2.27
      K     *2      2.24
      L     *3      2.05
      M     *3      1.97

     Hz     ppm     Int.

   4228.95  10.582    472
   3001.37   7.510    167
   2999.90   7.507    306
   2998.25   7.503    159
   2992.94   7.489    812
   2991.29   7.485    475
   2986.90   7.474    308
   2985.43   7.471    763
   2978.47   7.453    227
   2977.01   7.450    452
   2975.72   7.446    320
   2972.43   7.438    155
   2969.86   7.432    457
   2966.93   7.424    124
   2963.82   7.417    125
   2962.53   7.413    188
   2961.25   7.410    156
   2956.31   7.398    245
   2920.96   7.309    660
   2919.49   7.306   1000
   2917.29   7.300    242
   2914.18   7.292    386
   2912.53   7.288    735
   2911.25   7.285    601
   2908.68   7.279     93
   2750.79   6.883    240
   1791.00   4.482    173
   1785.51   4.468    362
   1779.83   4.454    171
   1778.91   4.452    180
    919.50   2.301     36
    911.44   2.281    175
    908.32   2.273    179
    901.91   2.257    372
    899.90   2.252    276
    895.13   2.240    262
    893.30   2.236    279
    884.69   2.214     46
    837.07   2.095     53
    831.58   2.081     62
    829.01   2.075     85
    823.33   2.061    159
    816.01   2.042    149
    814.91   2.040    148
    809.23   2.025    130
    802.82   2.009    115
    796.59   1.994    166
    794.03   1.987    112
    789.81   1.977    146
    787.43   1.971    151
    782.49   1.958    110
    780.84   1.954    118
    775.71   1.941     62
    773.70   1.936     69
    766.92   1.919     31

in DMSO-d6