4,5-Dimethoxy-2-nitrobenzoic acid(4998-07-6) IR2

Product Name4,5-Dimethoxy-2-nitrobenzoic acid

CAS 4998-07-6

Molecular FormulaC9H9NO6

Molecular Weight227.17

InChIInChI=1S/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)

InChIKey WWCMFGBGMJAJRX-UHFFFAOYSA-N

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

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Mass

MS-IW-6484          
4,5-dimethoxy-2-nitrobenzoic acid
C9H9NO6             (Mass of molecular ion:    227)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       1.5
      18.0       2.4
      28.0       1.4
      30.0       5.0
      39.0       2.7
      41.0       1.0
      43.0       1.3
      44.0       4.2
      45.0       1.9
      50.0       6.0
      51.0       8.2
      52.0       1.8
      53.0       4.8
      55.0       1.2
      59.0       1.3
      61.0       1.4
      62.0       3.0
      63.0       2.4
      64.0       1.5
      65.0       1.8
      66.0       1.7
      67.0       1.6
      69.0       4.5
      74.0       1.3
      75.0       1.9
      77.0       5.3
      78.0       2.4
      79.0       5.6
      80.0       1.8
      81.0       1.0
      82.0       3.0
      92.0       2.5
      93.0       4.5
      94.0       1.9
      95.0       9.3
      96.0       1.1
     107.0       3.4
     108.0       2.6
     109.0       1.8
     110.0      12.2
     111.0       1.5
     121.0       1.7
     122.0       1.3
     123.0       5.0
     125.0      20.4
     126.0       2.1
     136.0       5.3
     137.0       7.2
     138.0       9.4
     139.0       1.7
     141.0       1.1
     153.0       6.5
     154.0       1.2
     164.0       1.4
     165.0       1.8
     169.0       1.1
     181.0      15.8
     182.0       3.0
     183.0       8.4
     197.0       3.9
     211.0       1.3
     227.0     100.0
     228.0      10.3
     229.0       1.7