6104-30-9

异丁叉二脲(6104-30-9)红外图谱(IR2)

产品名称:异丁叉二脲

CAS:6104-30-9

分子式:C6H14N4O2

分子量: 174.2

InChI:InChI=1S/C6H14N4O2/c1-3(2)4(9-5(7)11)10-6(8)12/h3-4H,1-2H3,(H3,7,9,11)(H3,8,10,12)

InChIKey: QFHMNFAUXJAINK-UHFFFAOYSA-N

Smiles:C(NC(N)=O)(NC(N)=O)C(C)C

IR1

IR2

Mass

MS-IW-3538          
isobutylidenediurea
C6H14N4O2           (Mass of molecular ion:    174)

   Source Temperature: 170 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      15.0       1.9
      16.0       6.6
      17.0      26.6
      18.0      12.3
      26.0       2.2
      27.0      12.2
      28.0      68.6
      29.0      10.5
      30.0      10.3
      31.0       1.2
      38.0       1.6
      39.0      10.0
      40.0       2.3
      41.0      16.2
      42.0      11.9
      43.0      36.4
      44.0      81.7
      45.0       6.6
      52.0       1.8
      53.0       2.1
      54.0       6.9
      55.0       8.3
      56.0     100.0
      57.0       5.9
      60.0      47.3
      61.0       1.3
      68.0       2.0
      69.0       1.9
      70.0      21.5
      71.0      42.0
      72.0       6.0
      82.0       1.5
      88.0       6.1
      97.0       1.7
      98.0       1.8
     114.0      17.4
     115.0       1.6
     125.0       4.8
     131.0       6.2
     168.0       1.8

KBr disc