2002-59-7

6-硫代-2-羟基嘌呤(2002-59-7)红外图谱(IR1)

产品名称:6-硫代-2-羟基嘌呤

CAS:2002-59-7

分子式:C5H4N4OS

分子量: 168.18

InChI:InChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11)

InChIKey: RJOXFJDOUQJOMQ-UHFFFAOYSA-N

Smiles:N1C2=C(NC(=O)NC2=S)NC=1

IR1

IR2

Mass

MS-NW-0613          
6-thioxanthine
C5H4N4OS            (Mass of molecular ion:    168)

   Source Temperature: 230 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      17.0       2.0
      18.0       8.9
      26.0       1.3
      27.0      12.4
      28.0      38.7
      29.0       1.9
      32.0       5.5
      33.0       3.6
      34.0       7.1
      36.0       1.5
      38.0       5.2
      39.0       3.5
      40.0       1.5
      41.0       3.4
      42.0       1.5
      43.0       3.8
      44.0       5.1
      45.0       7.1
      46.0       1.0
      52.0       2.7
      53.0      28.7
      54.0      35.3
      55.0       4.9
      56.0       1.6
      57.0       3.9
      58.0       2.2
      59.0       6.0
      60.0       4.6
      64.0       1.2
      65.0       1.6
      66.0       2.7
      67.0       2.0
      68.0       1.1
      69.0       3.3
      70.0       9.5
      71.0      32.1
      72.0       2.6
      73.0       1.7
      79.0       5.1
      80.0       7.1
      81.0      12.9
      82.0       1.9
      83.0       3.2
      84.0       1.6
      85.0       1.5
      86.0       8.4
      87.0       1.7
      95.0       1.1
      97.0       4.1
      98.0      19.5
      99.0       1.9
     106.0       5.7
     107.0       3.8
     108.0       5.3
     109.0       9.0
     110.0       1.0
     113.0       1.9
     114.0       1.0
     124.0       2.0
     125.0      41.1
     126.0       6.5
     127.0       2.2
     134.0      15.8
     135.0      16.0
     136.0       1.4
     140.0       3.6
     151.0       1.0
     152.0      10.7
     167.0       1.0
     168.0     100.0
     169.0       7.9
     170.0       5.0

KBr disc