苯基硫脲(103-85-5)質(zhì)譜(MS)

產(chǎn)品名稱:苯基硫脲

CAS:103-85-5

分子式:C7H8N2S

分子量: 152.22

InChI:InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)

InChIKey: FULZLIGZKMKICU-UHFFFAOYSA-N

Smiles:N(C1=CC=CC=C1)C(N)=S

¹HNMR

IR1

IR2

Mass

MS-NW-0192          
1-phenylthiourea
C7H8N2S             (Mass of molecular ion:    152)

   Source Temperature: 210 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      26.0       1.3
      27.0       3.2
      28.0       9.3
      32.0       2.3
      33.0       1.4
      37.0       2.9
      38.0       7.2
      39.0      22.0
      40.0       3.9
      41.0       2.9
      42.0       1.3
      43.0       7.3
      45.0       1.4
      50.0       9.1
      51.0      20.6
      52.0       5.2
      53.0       1.3
      54.0       2.2
      59.0       3.0
      60.0      25.2
      61.0       2.0
      62.0       3.0
      63.0       8.0
      64.0       5.3
      65.0      24.7
      66.0      29.5
      67.0       3.5
      69.0       1.3
      73.0       1.3
      74.0       3.1
      75.0       3.0
      76.0       4.0
      77.0      25.1
      78.0       3.9
      80.0       1.5
      90.0       1.1
      91.0       4.4
      92.0      12.3
      93.0     100.0
      94.0       7.2
      97.0       1.0
     104.0       2.2
     109.0       5.2
     110.0      21.7
     111.0       1.8
     112.0       1.1
     118.0       3.8
     119.0      17.2
     120.0       1.8
     124.0       2.2
     135.0       2.4
     136.0       1.1
     151.0       6.4
     152.0      61.9
     153.0       6.2
     154.0       3.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₈ N₂ S	0.040 g : 0.5 ml DMSO-d₆
1-phenylthiourea

    Assign.     Shift(ppm)

      A             9.70
      B             7.402
      C             7.329
      D             7.122

     Hz     ppm     Int.

   3878.33   9.705    580
   2962.95   7.414    580
   2955.32   7.395    896
   2936.25   7.348    823
   2934.11   7.342    274
   2928.77   7.329   1000
   2922.21   7.312    263
   2920.38   7.308    558
   2854.16   7.142    214
   2852.94   7.139    348
   2851.72   7.136    214
   2845.61   7.121    549
   2838.29   7.102    249

KBr disc