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Back ChemicalBook Home>CAS DataBase List>99-88-7More Spectrum> 4-Isopropylaniline(99-88-7) IR1

99-88-7

4-Isopropylaniline(99-88-7) IR1

Product Name4-Isopropylaniline

CAS99-88-7

Molecular FormulaC9H13N

Molecular Weight135.21

InChIInChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3

InChIKey LRTFPLFDLJYEKT-UHFFFAOYSA-N

SmilesC1(N)=CC=C(C(C)C)C=C1

  • 4-Isopropylaniline(99-88-7) IR1
    Mass

    MS-NW-6634          
    p-isopropylaniline
    C9H13N              (Mass of molecular ion:    135)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.1
          27.0       1.4
          28.0       1.3
          39.0       3.8
          41.0       2.1
          42.0       1.7
          51.0       2.1
          52.0       1.6
          53.0       1.2
          54.0       1.1
          58.5       2.6
          59.5       1.0
          60.0       1.8
          63.0       1.6
          65.0       4.4
          66.0       1.6
          77.0       6.1
          78.0       1.3
          79.0       1.2
          91.0       5.4
          92.0       2.2
          93.0       5.4
          94.0       3.8
         103.0       5.4
         104.0       1.3
         106.0       1.8
         117.0       1.8
         118.0       4.8
         119.0       4.9
         120.0     100.0
         121.0       9.5
         134.0       1.5
         135.0      31.6
         136.0       3.3
    

400 MHz in CDCl3

  • 4-Isopropylaniline(99-88-7) IR1

    1H NMR 399.65 MHz
    C9 H13 N 0.05 ml : 0.5 ml CDCl3
    p-isopropylaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.990 B 6.568 C 3.41 D 2.781 E 1.188

         Hz     ppm     Int.
    

       2800.90   7.009     46
       2798.22   7.002    290
       2796.63   6.998    111
       2791.87   6.986    118
       2790.04   6.982    304
       2787.48   6.975     53
       2631.71   6.586     56
       2629.15   6.579    352
       2626.95   6.574    131
       2622.68   6.563    124
       2620.61   6.558    325
       2617.92   6.551     52
       1363.77   3.413    147
       1125.49   2.817     35
       1118.53   2.799     83
       1111.69   2.782    111
       1104.74   2.765     88
       1097.78   2.747     39
        482.79   1.209     69
        478.39   1.198   1000
        471.44   1.180    968
    

in CDCl3

  • 4-Isopropylaniline(99-88-7) IR1

liquid film

  • 4-Isopropylaniline(99-88-7) IR1

  • 4-Isopropylaniline(99-88-7) IR1

4-Isopropylaniline(99-88-7) IR1 Atlas of Related Products

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