5-NITROISOPHTHALIC ACID MONOETHYL ESTER(22871-55-2) IR2

Product Name5-NITROISOPHTHALIC ACID MONOETHYL ESTER

CAS 22871-55-2

Molecular FormulaC10H9NO6

Molecular Weight239.18

InChIInChI=1S/C10H9NO6/c1-2-17-10(14)7-3-6(9(12)13)4-8(5-7)11(15)16/h3-5H,2H2,1H3,(H,12,13)

InChIKey HOYHBDFTELAGGG-UHFFFAOYSA-N

SmilesC1(C(OCC)=O)=CC([N+]([O-])=O)=CC(C(O)=O)=C1

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IR1

IR2

5-NITROISOPHTHALIC ACID MONOETHYL ESTER(22871-55-2) IR2
Mass

MS2001-00889WA      
5-nitroisophthalic acid monoethyl ester
C10H9NO6            (Mass of molecular ion:    239)

   Source Temperature: 235 °C
   Sample Temperature: 300 °C
   Reservoir, 70 eV

      18.0       1.5
      27.0       3.9
      28.0       1.9
      29.0       8.2
      30.0       1.8
      39.0       1.6
      43.0       1.9
      44.0       4.7
      45.0       7.5
      50.0       3.3
      51.0       1.4
      53.0       1.5
      62.0       1.2
      63.0       3.3
      64.0       2.1
      65.0       5.7
      74.0       9.6
      75.0      20.3
      76.0       2.6
      77.0       1.7
      81.0       4.5
      91.0       1.7
      92.0       1.7
     102.0       4.8
     103.0       2.1
     104.0       1.1
     109.0       1.5
     119.0       8.2
     120.0      19.5
     121.0       2.5
     135.0       1.0
     136.0       3.3
     137.0       1.6
     139.0       1.2
     147.0       4.3
     148.0      30.9
     149.0       5.7
     150.0       2.0
     163.0       1.2
     164.0       1.7
     165.0      24.3
     166.0       4.7
     167.0       4.1
     176.0       2.9
     178.0       8.8
     179.0      25.9
     180.0       2.6
     181.0       3.6
     193.0       3.2
     194.0     100.0
     195.0      24.5
     196.0       3.1
     206.0       1.6
     207.0       1.5
     209.0       1.9
     211.0      27.7
     212.0       5.9
     222.0      22.5
     223.0       6.2
     224.0       1.0
     238.0       1.3
     239.0      24.6
     240.0       3.3
     267.0       4.4

KBr disk