38873-91-5

Phenylphosphonic acid bis(p-nitrophenyl) ester(38873-91-5) MS

Product NamePhenylphosphonic acid bis(p-nitrophenyl) ester

CAS 38873-91-5

Molecular FormulaC18H13N2O7P

Molecular Weight400.28

InChIInChI=1S/C18H13N2O7P/c21-19(22)14-6-10-16(11-7-14)26-28(25,18-4-2-1-3-5-18)27-17-12-8-15(9-13-17)20(23)24/h1-13H

InChIKey WQSNPTABRVOQCQ-UHFFFAOYSA-N

SmilesC1=CC=C(P(=O)(OC2=CC=C([N+]([O-])=O)C=C2)OC2=CC=C([N+]([O-])=O)C=C2)C=C1

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¹³CNMR

IR1

IR2

Phenylphosphonic acid bis(p-nitrophenyl) ester(38873-91-5) MS
Mass

MS-NW-8236          
bis(p-nitrophenyl) phenylphosphonate
C18H13N2O7P         (Mass of molecular ion:    400)

   Source Temperature: 220 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      28.0       1.4
      30.0       2.5
      38.0       1.0
      39.0       3.1
      47.0       2.2
      50.0       5.5
      51.0       5.6
      53.0       1.1
      63.0       4.2
      64.0       4.6
      65.0       4.9
      74.0       1.0
      75.0       9.2
      76.0      16.4
      77.0      33.5
      78.0       2.5
      92.0       6.2
      93.0       2.0
     109.0       2.0
     115.0       1.2
     122.0       7.6
     123.0       2.2
     124.0       4.2
     128.0       1.2
     139.0       9.1
     140.0       1.9
     141.0       6.8
     152.0       2.4
     153.0       1.1
     168.0       2.1
     169.0       5.0
     170.0       1.3
     198.0       1.6
     199.0       3.0
     215.0      12.8
     216.0      20.6
     217.0       3.0
     232.0       1.8
     246.0       1.8
     260.0      12.5
     261.0       6.5
     262.0     100.0
     263.0      13.7
     264.0       1.7
     353.0       1.0
     384.0       2.1
     399.0      51.2
     400.0      51.9
     401.0      10.7
     402.0       3.6

in CDCl3

KBr disc

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