N,N-Dimethylaniline(121-69-7) MS

Product NameN,N-Dimethylaniline

CAS 121-69-7

Molecular FormulaC8H11N

Molecular Weight121.18

InChIInChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey JLTDJTHDQAWBAV-UHFFFAOYSA-N

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

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Mass

MS-NW-0570          
N,N-dimethylaniline
C8H11N              (Mass of molecular ion:    121)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       2.6
      27.0       1.6
      28.0       1.4
      38.0       1.2
      39.0       4.7
      42.0       7.4
      44.0       3.2
      50.0       3.6
      51.0       9.8
      52.0       2.8
      60.0       1.3
      60.5       2.8
      63.0       2.3
      64.0       1.3
      65.0       2.4
      74.0       1.0
      77.0      20.4
      78.0       5.3
      79.0       4.4
      91.0       4.2
      92.0       1.9
      93.0       1.3
     103.0       2.2
     104.0       9.7
     105.0      12.2
     106.0       3.7
     118.0       3.1
     119.0       1.5
     120.0     100.0
     121.0      78.3
     122.0       6.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₁ N	10.4 mol% in CDCl₃
N,N-dimethylaniline

    Assign.     Shift(ppm)

      A             2.891
      B          6.61 to 6.82
      C             7.21

     Hz     ppm     Int.

    655.31   7.317     36
    654.63   7.310     35
    649.06   7.248     35
    647.88   7.235     59
    646.88   7.223     67
    645.75   7.211     66
    645.25   7.205     35
    639.81   7.144     53
    639.25   7.138     68
    638.75   7.133     76
    607.81   6.787     94
    607.00   6.778    113
    604.13   6.746     30
    600.56   6.706     93
    598.75   6.686     62
    597.63   6.673     53
    593.50   6.627     24
    258.94   2.892   1000

in CDCl3