2,4,7-三硝基-9-芴酮(129-79-3)紅外圖譜(IR1)

產(chǎn)品名稱:2,4,7-三硝基-9-芴酮

CAS:129-79-3

分子式:C13H5N3O7

分子量: 315.19

InChI:InChI=1S/C13H5N3O7/c17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-5H

InChIKey: VHQGURIJMFPBKS-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC([N+]([O-])=O)=C2)C2=C1C=C([N+]([O-])=O)C=C2[N+]([O-])=O

IR1

IR2

Mass

MS-NW-2043          
2,4,7-trinitro-9-fluorenone
C13H5N3O7           (Mass of molecular ion:    315)

   Source Temperature: 210 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      17.0       1.2
      18.0       5.1
      27.0       1.0
      28.0       7.6
      30.0      33.8
      39.0       1.0
      44.0       4.5
      50.0       1.1
      51.0       3.1
      53.0       1.5
      61.0       2.1
      61.5       1.2
      62.0       3.1
      63.0       5.7
      73.0       1.5
      74.0       8.5
      74.5       1.4
      75.0      14.9
      76.0       1.7
      85.0       1.3
      86.0       5.1
      87.0       8.1
      88.0       2.2
      98.0       9.7
      99.0      15.5
     100.0       2.5
     110.0       3.3
     111.0       3.1
     112.0       1.8
     122.0       3.8
     123.0      10.1
     124.0       2.4
     125.0       2.9
     126.0       1.0
     127.0       1.7
     136.0       2.2
     137.0      18.7
     138.0       4.5
     139.0       8.1
     140.0       1.7
     146.0       1.6
     147.0       1.1
     148.0       5.5
     149.0      24.4
     150.0       7.7
     151.0       4.0
     153.0       3.4
     154.0       1.0
     155.0       1.1
     165.0       5.5
     166.0       1.9
     167.0       7.5
     168.0       1.4
     176.0       7.7
     177.0       7.0
     178.0       2.7
     179.0       1.8
     181.0       6.3
     182.0       1.7
     183.0       1.4
     192.0       1.0
     193.0      18.4
     194.0       3.9
     195.0       5.1
     196.0       2.6
     206.0       1.0
     209.0       6.0
     210.0       1.7
     211.0       2.3
     222.0      23.1
     223.0       9.4
     224.0       2.7
     227.0       2.0
     239.0       8.2
     240.0       2.5
     241.0       1.5
     269.0      16.4
     270.0       7.7
     271.0       1.2
     285.0      12.9
     286.0       2.2
     299.0       6.0
     300.0       1.0
     315.0     100.0
     316.0      15.8
     317.0       2.7

KBr disc

nujol mull

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