602-87-9

5-硝基苊(602-87-9)红外图谱(IR1)

产品名称:5-硝基苊

CAS:602-87-9

分子式:C12H9NO2

分子量: 199.21

InChI:InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2

InChIKey: CUARLQDWYSRQDF-UHFFFAOYSA-N

Smiles:C1C2C3C(C=CC=2)=C([N+]([O-])=O)C=CC=3C1

IR1

IR2

Mass

MS-NW-1657          
5-nitroacenaphthene
C12H9NO2            (Mass of molecular ion:    199)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       3.8
      27.0       1.0
      28.0       1.4
      30.0       1.7
      39.0       3.2
      50.0       3.4
      51.0       5.1
      52.0       1.0
      62.0       3.1
      63.0       9.4
      74.0       4.7
      75.0       7.3
      75.5       3.7
      76.0      11.3
      76.5       2.1
      77.0       4.2
      78.0       1.0
      86.0       1.9
      87.0       2.6
      89.0       1.4
      98.0       2.0
      99.0       2.0
     100.0       1.2
     101.0       2.3
     102.0       1.9
     113.0       1.1
     115.0      11.0
     116.0       2.6
     125.0       1.6
     126.0       5.7
     127.0       5.7
     128.0       1.6
     129.0       1.2
     139.0       5.1
     140.0       2.6
     141.0      19.9
     142.0       4.9
     143.0       3.5
     144.0       1.6
     150.0       9.7
     151.0      26.2
     152.0      91.0
     153.0      47.6
     154.0       6.9
     157.0       1.0
     167.0       1.9
     168.0       1.8
     169.0      23.0
     170.0       4.9
     171.0       2.4
     182.0      19.4
     183.0       3.9
     198.0       3.4
     199.0     100.0
     200.0      13.9
     201.0       1.3

KBr disc