3740-52-1

2-Nitrophenylacetic acid(3740-52-1) IR1

Product Name2-Nitrophenylacetic acid

CAS 3740-52-1

Molecular FormulaC8H7NO4

Molecular Weight181.15

InChIInChI=1S/C8H7NO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)

InChIKey WMUZDBZPDLHUMW-UHFFFAOYSA-N

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

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2-Nitrophenylacetic acid(3740-52-1) IR1
Mass

MS-NW-4766          
(o-nitrophenyl)acetic acid
C8H7NO4             (Mass of molecular ion:    181)

   Source Temperature: 160 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       4.1
      26.0       1.1
      27.0       6.2
      28.0       5.8
      29.0       5.0
      30.0       9.1
      37.0       2.5
      38.0       6.0
      39.0      27.7
      40.0       3.4
      41.0       3.2
      43.0       1.4
      44.0       4.6
      45.0       9.3
      49.0       1.0
      50.0       9.6
      51.0      23.8
      52.0      10.9
      53.0      10.8
      55.0       1.7
      61.0       2.6
      62.0       7.9
      63.0      24.5
      64.0      15.6
      65.0      61.7
      66.0       6.5
      74.0       2.1
      75.0       2.5
      76.0       5.0
      77.0      73.3
      78.0      45.2
      79.0      40.4
      80.0       6.9
      81.0       1.8
      86.0       1.4
      87.0       1.5
      89.0      30.3
      90.0      16.7
      91.0      16.2
      92.0      87.5
      93.0       9.4
     104.0       2.0
     105.0      12.6
     106.0       1.9
     107.0      18.8
     108.0       4.8
     119.0       3.6
     120.0      79.8
     121.0       7.0
     133.0       3.7
     134.0       1.8
     135.0     100.0
     136.0      15.1
     137.0       3.7
     146.0       1.7
     164.0       1.5