N-Ethylaniline(103-69-5) ¹³C NMR

Product NameN-Ethylaniline

CAS 103-69-5

Molecular FormulaC8H11N

Molecular Weight121.18

InChIInChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

InChIKey OJGMBLNIHDZDGS-UHFFFAOYSA-N

SmilesC1(NCC)=CC=CC=C1

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Mass

MS-NW-0702          
N-ethylaniline
C8H11N              (Mass of molecular ion:    121)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      38.0       1.3
      39.0       4.2
      50.0       2.3
      51.0       8.0
      52.0       2.5
      53.0       4.8
      63.0       1.8
      64.0       1.3
      65.0       5.7
      66.0       2.0
      77.0      18.6
      78.0       3.6
      79.0       7.1
      91.0       2.4
      92.0       2.0
      93.0       1.3
     104.0       2.5
     106.0     100.0
     107.0       8.0
     118.0       1.9
     120.0       6.5
     121.0      38.6
     122.0       3.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₁ N	0.04 ml : 0.5 ml CDCl₃
N-ethylaniline

    Assign.     Shift(ppm)

      A             7.147
      B             6.68
      C             6.58
      D             3.42
      E             3.114
      F             1.216
     
     J(E,F)=7.1HZ.

     Hz     ppm     Int.

    649.44   7.252     98
    648.69   7.244    112
    648.13   7.237     65
    646.81   7.223     63
    642.88   7.179     68
    641.75   7.166    271
    640.88   7.156    210
    640.19   7.149    172
    638.63   7.131     50
    635.25   7.094    100
    634.06   7.080    124
    633.50   7.074    241
    633.00   7.068    184
    631.00   7.046     47
    605.81   6.765     55
    604.56   6.751    114
    603.44   6.738     96
    599.13   6.690     39
    597.31   6.670    149
    595.44   6.649     76
    594.94   6.643     69
    593.44   6.627    249
    592.19   6.613    290
    590.00   6.588    132
    588.88   6.576     59
    586.69   6.551     70
    585.94   6.543     91
    584.81   6.530    202
    583.69   6.518    169
    305.88   3.416    100
    290.13   3.240    100
    282.88   3.159    356
    275.75   3.079    384
    268.75   3.001    131
    115.75   1.293    452
    108.75   1.215   1000
    101.50   1.134    377

in CDCl3