643-43-6

2,4-Dinitrophenylacetic acid(643-43-6) IR1

Product Name2,4-Dinitrophenylacetic acid

CAS 643-43-6

Molecular FormulaC8H6N2O6

Molecular Weight226.14

InChIInChI=1S/C8H6N2O6/c11-8(12)3-5-1-2-6(9(13)14)4-7(5)10(15)16/h1-2,4H,3H2,(H,11,12)

InChIKey KCNISYPADDTFDO-UHFFFAOYSA-N

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

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IR1

IR2

2,4-Dinitrophenylacetic acid(643-43-6) IR1
Mass

MS-IW-1169          
(2,4-dinitrophenyl)acetic acid
C8H6N2O6            (Mass of molecular ion:    226)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       4.9
      28.0       2.5
      30.0      12.1
      37.0       3.1
      38.0       5.4
      39.0       8.0
      44.0       3.7
      50.0       2.7
      51.0       3.7
      52.0       4.6
      53.0       3.0
      61.0       3.3
      62.0       8.3
      63.0      40.5
      64.0       7.0
      65.0       1.0
      66.0       1.2
      75.0       1.3
      76.0       1.0
      78.0       4.7
      79.0       1.9
      87.0       1.2
      88.0       2.1
      89.0       3.4
      90.0      53.0
      91.0       4.7
     106.0      16.9
     107.0       1.8
     118.0      39.6
     119.0       3.4
     134.0       2.9
     148.0       1.1
     164.0     100.0
     165.0      10.0
     166.0       1.0

KBr disc