2338-12-7

5-硝基苯并三唑(2338-12-7)红外图谱(IR1)

产品名称:5-硝基苯并三唑

CAS:2338-12-7

分子式:C6H4N4O2

分子量: 164.12

InChI:InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)

InChIKey: AOCDQWRMYHJTMY-UHFFFAOYSA-N

Smiles:N1C2=CC([N+]([O-])=O)=CC=C2N=N1

IR1

IR2

Mass

MS-NW-1797          
5-nitrobenzotriazole
C6H4N4O2            (Mass of molecular ion:    164)

   Source Temperature: 200 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       3.8
      26.0       2.1
      27.0       1.6
      28.0       6.6
      29.0       2.9
      30.0       7.3
      37.0       9.9
      38.0      12.7
      39.0      13.5
      40.0       2.7
      44.0       1.3
      46.0       1.1
      49.0       1.8
      50.0       6.4
      51.0      19.8
      52.0      20.9
      53.0       3.5
      60.0       1.3
      61.0      11.7
      62.0      29.1
      63.0     100.0
      64.0      17.4
      65.0       1.6
      75.0       1.8
      76.0       2.5
      77.0       2.2
      78.0       8.5
      79.0      24.7
      80.0       3.2
      87.0       2.6
      88.0       4.5
      89.0       4.3
      90.0      25.7
      91.0       5.7
      93.0       2.1
     106.0      30.0
     107.0       2.2
     118.0       3.1
     119.0       1.4
     134.0       7.6
     136.0       9.5
     164.0      71.3
     165.0       5.9

KBr disc

nujol mull

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