3871-20-3

三(4-硝基苯基)磷酸酯(3871-20-3)Raman光谱

分子式:C18H12N3O10P

分子量: 461.28

InChI:InChI=1S/C18H12N3O10P/c22-19(23)13-1-7-16(8-2-13)29-32(28,30-17-9-3-14(4-10-17)20(24)25)31-18-11-5-15(6-12-18)21(26)27/h1-12H

InChIKey: RZSPPBDBWOJRII-UHFFFAOYSA-N

Smiles:P(OC1=CC=C([N+]([O-])=O)C=C1)(OC1=CC=C([N+]([O-])=O)C=C1)(OC1=CC=C([N+]([O-])=O)C=C1)=O

IR1

IR2

Raman

Mass

MS-NW-7069          
tris(p-nitrophenyl) phosphate
C18H12N3O10P        (Mass of molecular ion:    461)

   Source Temperature: 250 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      18.0       1.3
      28.0       2.1
      30.0      20.1
      38.0       4.2
      39.0       6.5
      47.0      10.1
      50.0      12.8
      51.0       4.2
      52.0       2.9
      53.0       2.9
      54.0       1.4
      55.0       1.7
      62.0       3.2
      63.0      21.8
      64.0      20.7
      65.0       9.3
      66.0       1.1
      68.0       1.3
      74.0       4.7
      75.0      51.1
      76.0      28.7
      77.0       3.8
      78.0       1.6
      79.0       3.0
      80.0       2.5
      81.0       4.1
      82.0       1.5
      83.0       4.0
      90.0       1.1
      91.0       1.7
      92.0      20.6
      93.0       4.5
      94.0       1.4
      99.0       1.6
     106.0       2.0
     107.0       2.2
     108.0       2.3
     109.0      20.1
     110.0       1.7
     111.0       5.5
     115.0       1.0
     120.0       1.3
     122.0       9.5
     123.0       5.4
     126.0       1.0
     127.0       4.3
     128.0       4.3
     138.0       4.1
     139.0      33.9
     140.0       4.4
     144.0       1.2
     150.0       1.7
     151.0       1.1
     155.0      10.0
     156.0       5.5
     157.0       1.0
     166.0       1.0
     167.0       3.4
     168.0       5.1
     169.0      38.7
     170.0       3.3
     171.0       1.5
     172.0       1.8
     173.0       1.2
     183.0       3.4
     184.0       7.8
     185.0       7.3
     186.0       1.7
     200.0       1.2
     201.0       1.2
     202.0       3.1
     203.0       3.4
     213.0       5.4
     214.0       2.3
     215.0       1.1
     218.0       1.2
     219.0       3.0
     229.0       1.8
     230.0      11.6
     231.0       5.8
     232.0       1.2
     241.0       1.1
     242.0       2.1
     243.0       8.7
     244.0       1.6
     246.0       1.7
     247.0       3.7
     248.0       1.4
     258.0       1.6
     259.0       2.1
     260.0       7.3
     261.0       1.7
     276.0       1.9
     277.0      16.8
     278.0       2.5
     293.0       2.3
     305.0       2.1
     306.0       3.1
     307.0       1.6
     309.0       1.2
     310.0       1.7
     321.0       1.4
     322.0       1.5
     323.0      23.3
     324.0       4.0
     334.0       1.7
     335.0       1.0
     337.0       1.0
     338.0       2.3
     339.0       2.2
     340.0       1.2
     357.0       1.0
     364.0       4.5
     365.0       1.1
     367.0       3.5
     368.0       2.4
     369.0       1.6
     383.0       1.3
     385.0       1.8
     398.0       1.0
     413.0       1.8
     414.0       6.1
     415.0       2.4
     431.0       4.3
     432.0       1.0
     443.0       1.1
     444.0       3.3
     445.0       7.0
     446.0       1.6
     460.0      36.5
     461.0     100.0
     462.0      21.9
     463.0       4.2

KBr disc