2010-15-3

苯基乙內(nèi)酰脲-甘氨酸(2010-15-3)核磁圖(¹HNMR)

產(chǎn)品名稱:苯基乙內(nèi)酰脲-甘氨酸

CAS:2010-15-3

分子式:C9H8N2OS

分子量: 192.24

InChI:InChI=1S/C9H8N2OS/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)

InChIKey: ZZRIQDWDJVLELF-UHFFFAOYSA-N

Smiles:C1(=S)NCC(=O)N1C1=CC=CC=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-1951          
3-phenyl-2-thioxo-4-imidazolidone
C9H8N2OS            (Mass of molecular ion:    192)

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

      17.0       1.1
      18.0       5.5
      27.0       2.3
      28.0       5.7
      29.0       2.6
      37.0       1.4
      38.0       2.8
      39.0       5.6
      41.0       1.4
      42.0       1.3
      44.0       1.3
      45.0       6.3
      46.0       1.7
      50.0       5.6
      51.0      19.3
      52.0       2.3
      59.0       1.0
      62.0       1.1
      63.0       3.9
      64.0       4.8
      65.0       4.0
      69.0       1.2
      72.0       8.1
      73.0      19.0
      74.0       2.5
      75.0       2.5
      76.0       3.4
      77.0      57.5
      78.0       5.2
      82.0       5.8
      90.0       1.5
      91.0      10.9
      92.0       8.7
      93.0       4.4
     103.0       3.8
     104.0      10.4
     105.0       2.1
     106.0       3.9
     108.0       2.1
     109.0       3.2
     118.0       1.5
     119.0       3.5
     120.0      26.3
     121.0       2.4
     131.0       4.5
     132.0       1.2
     135.0      55.8
     136.0      11.9
     137.0       3.3
     159.0       3.5
     163.0      13.6
     164.0       1.7
     190.0       1.8
     191.0      16.7
     192.0     100.0
     193.0      11.6
     194.0       5.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₈ N₂ O S	0.037 g : 0.5 ml DMSO-d₆
3-phenyl-2-thioxo-4-imidazolidone

    Assign.     Shift(ppm)

      A            10.4
      B             7.479
      C             7.429
      D             7.281
      E             4.293

     Hz     ppm     Int.

   4158.63  10.406    223
   3000.18   7.508    135
   2998.81   7.504    243
   2997.13   7.500    115
   2991.79   7.487    602
   2990.26   7.483    342
   2985.69   7.471    240
   2984.31   7.468    535
   2983.55   7.466    404
   2981.72   7.461    110
   2975.62   7.446    166
   2974.09   7.442    329
   2972.72   7.439    215
   2969.21   7.430    116
   2966.77   7.424    329
   2964.02   7.417     83
   2960.82   7.409     72
   2959.44   7.406    106
   2958.22   7.403     59
   2915.34   7.295    479
   2913.97   7.292    744
   2911.83   7.286    183
   2908.48   7.278    276
   2906.95   7.274    501
   2906.49   7.273    446
   2905.73   7.271    440
   2903.14   7.265     73
   1716.31   4.295    983
   1715.09   4.292   1000

in DMSO-d6