3-Nitroanisole (555-03-3) IR1

Product Name3-Nitroanisole

CAS 555-03-3

Molecular FormulaC7H7NO3

Molecular Weight153.14

InChIInChI=1S/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3

InChIKey WGYFINWERLNPHR-UHFFFAOYSA-N

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

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Mass

MS-NW-1740          
m-nitroanisole
C7H7NO3             (Mass of molecular ion:    153)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.4
      18.0       1.2
      26.0       2.1
      27.0       3.5
      28.0       5.1
      29.0       2.5
      30.0       8.9
      37.0       5.6
      38.0      18.1
      39.0      10.2
      41.0       6.3
      46.0       1.2
      49.0       1.7
      50.0      25.1
      51.0      14.2
      52.0       7.6
      53.0       4.7
      55.0       1.3
      61.0       4.2
      62.0      11.2
      63.0      48.3
      64.0      55.3
      65.0       6.6
      66.0       2.2
      67.0       1.2
      73.0       1.7
      74.0       9.7
      75.0       8.0
      76.0      12.5
      77.0     100.0
      78.0       8.7
      79.0       6.1
      80.0       3.9
      92.0      91.4
      93.0       6.6
      95.0      26.1
      96.0       1.7
     106.0       1.1
     107.0      51.4
     108.0       4.9
     123.0       2.7
     153.0      79.5
     154.0       6.5

in CDCl3

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