4-Isopropylaniline(99-88-7) MS

Product Name4-Isopropylaniline

CAS 99-88-7

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

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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

¹H NMR	399.65 MHz
C₉ H₁₃ N	0.05 ml : 0.5 ml CDCl₃
p-isopropylaniline

    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