6-Isopropyl-o-toluidine(5266-85-3) MS

Product Name6-Isopropyl-o-toluidine

CAS 5266-85-3

Molecular FormulaC10H15N

Molecular Weight149.23

InChIInChI=1S/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7H,11H2,1-3H3

InChIKey DDTKYVBFPULMGN-UHFFFAOYSA-N

SmilesC1(N)=C(C(C)C)C=CC=C1C

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Mass

MS-NW-2192          
2-isopropyl-6-methylaniline
C10H15N             (Mass of molecular ion:    149)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       1.9
      28.0       1.4
      39.0       3.5
      41.0       1.8
      42.0       1.4
      51.0       2.2
      52.0       1.4
      53.0       1.6
      59.5       1.0
      63.0       1.2
      65.0       3.0
      65.5       1.1
      66.0       1.3
      67.0       2.0
      77.0       4.1
      78.0       1.3
      79.0       1.8
      91.0       6.5
      92.0       1.2
      93.0       1.7
     104.0       1.0
     105.0       1.2
     106.0       3.4
     107.0       2.3
     108.0       1.5
     115.0       5.9
     116.0       2.1
     117.0       5.2
     118.0       2.4
     119.0      12.3
     120.0       8.5
     130.0       1.3
     132.0       3.6
     133.0       3.0
     134.0     100.0
     135.0      10.4
     148.0       1.6
     149.0      36.9
     150.0       4.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₅ N	0.04 ml : 0.5 ml CDCl₃
2-isopropyl-6-methylaniline

    Assign.     Shift(ppm)

      A             7.04
      B             6.95
      C             6.727
      D             3.5
      E             2.92
      F             2.181
      G             1.263
     
     J(A,C)=7.8HZ
     J(B,C)=15.6HZ
     J(B,D)=6.7HZ
     J(C,D)=-1.4HZ

     Hz     ppm     Int.

    635.00   7.091     45
    633.25   7.071     47
    625.75   6.987    121
    618.75   6.909    100
    618.19   6.903     99
    607.56   6.784    117
    600.19   6.702    110
    592.75   6.619     35
    315.44   3.523     47
    267.44   2.987     41
    260.75   2.912     57
    253.81   2.834     47
    195.31   2.181    669
    116.25   1.299   1000
    109.50   1.223    890

in CDCl3