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Back ChemicalBook Home>CAS DataBase List>603-71-4More Spectrum> 2-NITROMESITYLENE(603-71-4) IR1

603-71-4

2-NITROMESITYLENE(603-71-4) IR1

Product Name2-NITROMESITYLENE

CAS603-71-4

Molecular FormulaC9H11NO2

Molecular Weight165.19

InChIInChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3

InChIKey SCEKDQTVGHRSNS-UHFFFAOYSA-N

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

  • 2-NITROMESITYLENE(603-71-4) IR1
    Mass

    MS-NW-8743          
    2-nitromesitylene
    C9H11NO2            (Mass of molecular ion:    165)
    

       Source Temperature: 270 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       8.1
          28.0       4.0
          29.0       3.2
          30.0       1.5
          38.0       1.7
          39.0      18.7
          40.0       2.6
          41.0      23.4
          42.0       3.1
          43.0       4.4
          50.0       4.6
          51.0      13.8
          52.0       5.6
          53.0      10.3
          54.0       1.4
          55.0       2.1
          57.5       1.5
          62.0       2.2
          63.0       7.6
          64.0       2.3
          65.0      16.0
          66.0       2.7
          67.0       3.6
          74.0       1.8
          75.0       2.2
          76.0       1.9
          77.0      42.9
          78.0      11.2
          79.0      18.7
          80.0       4.8
          81.0       1.9
          89.0       3.1
          90.0       1.2
          91.0      68.3
          92.0      11.5
          93.0      57.1
          94.0       5.9
         102.0       3.3
         103.0      21.4
         104.0      15.0
         105.0       7.5
         106.0       5.3
         107.0       2.6
         115.0      12.1
         116.0       4.1
         117.0      16.0
         118.0      10.6
         119.0      21.6
         120.0      46.3
         121.0       8.3
         130.0       1.4
         131.0       1.2
         133.0       2.6
         134.0       1.3
         135.0       3.1
         148.0     100.0
         149.0      10.8
         165.0      52.5
         166.0       5.9
    

90 MHz in CDCl3

  • 2-NITROMESITYLENE(603-71-4) IR1

    1H NMR 89.56 MHz
    C9 H11 N O2 0.038 g : 0.5 ml CDCl3
    2-nitromesitylene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.909 B 2.306 C 2.272

         Hz     ppm     Int.
    

        619.13   6.914    207
        618.56   6.907    203
        212.31   2.371     24
        206.63   2.308    524
        203.56   2.273   1000
    

in CDCl3

  • 2-NITROMESITYLENE(603-71-4) IR1

KBr disc

  • 2-NITROMESITYLENE(603-71-4) IR1

nujol mull

  • 2-NITROMESITYLENE(603-71-4) IR1

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