529-69-1

異黃喋呤(529-69-1)Raman光谱

产品名称:異黃喋呤

CAS:529-69-1

分子式:C6H5N5O2

分子量: 179.14

InChI:InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)

InChIKey: GLKCOBIIZKYKFN-UHFFFAOYSA-N

Smiles:N1C2=C(N=CC(=O)N2)C(=O)NC=1N

IR1

IR2

Raman

Mass

MS-NW-8168          
2-amino-4,7-pteridinediol
C6H5N5O2            (Mass of molecular ion:    179)

   Source Temperature: 240 °C
   Sample Temperature: 300 °C
   Direct, 75 eV

      18.0       4.3
      27.0       2.8
      28.0      13.5
      29.0       2.7
      38.0       3.1
      39.0       3.9
      40.0       2.5
      41.0       2.0
      42.0       5.8
      43.0      22.0
      44.0       8.6
      53.0       5.5
      54.0      10.2
      55.0       2.5
      56.0       2.0
      64.0       1.0
      65.0       2.4
      66.0       3.0
      67.0       3.7
      68.0       8.9
      69.0       8.1
      70.0       2.3
      75.5       1.2
      80.0       1.2
      81.0       6.5
      82.0       1.9
      83.0       2.7
      86.0       1.9
      93.0       2.0
      96.0       1.9
     106.0       1.8
     108.0      11.8
     109.0      16.6
     110.0      14.2
     111.0       2.3
     124.0       3.4
     134.0      12.3
     135.0       5.3
     136.0       1.3
     137.0       1.2
     138.0       3.8
     149.0       1.1
     150.0       2.3
     151.0      16.0
     152.0       1.7
     179.0     100.0
     180.0       8.8

KBr disc