1882-69-5

5-Methoxy-2-nitrobenzoic acid(1882-69-5) MS

Product Name5-Methoxy-2-nitrobenzoic acid

CAS 1882-69-5

Molecular FormulaC8H7NO5

Molecular Weight197.14

InChIInChI=1S/C8H7NO5/c1-14-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey URADKXVAIGMTEG-UHFFFAOYSA-N

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

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5-Methoxy-2-nitrobenzoic acid(1882-69-5) MS
Mass

MS-IW-6715          
5-methoxy-2-nitrobenzoic acid
C8H7NO5             (Mass of molecular ion:    197)

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

      18.0       3.8
      27.0       1.2
      28.0       5.7
      30.0       2.1
      38.0       1.7
      39.0       2.4
      41.0       3.7
      44.0       4.1
      50.0       2.7
      51.0       3.0
      52.0       5.2
      53.0       3.5
      55.0       2.8
      61.0       1.2
      62.0       3.8
      63.0      14.0
      64.0       3.5
      65.0       5.7
      66.0       1.0
      67.0       1.5
      69.0       3.0
      74.0       2.9
      75.0       2.7
      76.0       1.0
      77.0       4.5
      79.0       2.6
      80.0       5.7
      91.0       1.2
      92.0       3.7
      93.0       3.2
      95.0      15.4
      96.0       1.7
     106.0       3.6
     107.0       2.0
     108.0      14.9
     109.0       1.1
     111.0       2.3
     123.0      17.9
     124.0       1.6
     134.0       1.7
     149.0       2.0
     151.0       1.9
     153.0       7.1
     167.0      21.5
     168.0       2.0
     181.0       2.2
     197.0     100.0
     198.0       9.6
     199.0       1.4

400MHZ in DMSO-d6