3113-72-2

5-Methyl-2-nitrobenzoic acid(3113-72-2) ¹H NMR

Product Name5-Methyl-2-nitrobenzoic acid

CAS 3113-72-2

Molecular FormulaC8H7NO4

Molecular Weight181.15

InChIInChI=1S/C8H7NO4/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey QRRSIFNWHCKMSW-UHFFFAOYSA-N

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

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5-Methyl-2-nitrobenzoic acid(3113-72-2) <sup>1</sup>H NMR
Mass

MS-NW-8572          
6-nitro-m-toluic acid
C8H7NO4             (Mass of molecular ion:    181)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.8
      27.0       5.4
      28.0       3.3
      29.0       1.0
      30.0      11.1
      37.0       1.3
      38.0       3.3
      39.0      23.3
      40.0       2.4
      41.0       3.6
      43.0       9.8
      44.0       1.8
      45.0       3.0
      50.0       7.3
      51.0      14.8
      52.0       6.2
      53.0      16.0
      55.0       6.8
      61.0       2.2
      62.0       7.4
      63.0      20.2
      64.0       6.4
      65.0      16.7
      66.0       2.7
      67.0       4.8
      74.0       2.5
      75.0       2.7
      76.0       1.7
      77.0      90.3
      78.0      13.4
      79.0      32.2
      80.0       2.3
      81.0       1.7
      86.0       1.9
      87.0       1.9
      89.0      19.2
      90.0       7.2
      91.0      30.4
      92.0       3.5
      95.0       4.9
     104.0       1.3
     105.0       6.4
     106.0       3.3
     107.0      69.5
     108.0       5.4
     120.0       1.2
     123.0       8.9
     133.0       3.7
     135.0      17.4
     136.0       1.7
     137.0      30.2
     138.0       2.5
     151.0      26.5
     152.0       2.3
     164.0       2.4
     165.0       2.5
     181.0     100.0
     182.0       9.4
     183.0       1.2