4-Methylphenethylamine(3261-62-9) ¹³C NMR

Product Name4-Methylphenethylamine

CAS 3261-62-9

Molecular FormulaC9H13N

Molecular Weight135.21

InChIInChI=1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3

InChIKey VKJXAQYPOTYDLO-UHFFFAOYSA-N

SmilesC1(CCN)=CC=C(C)C=C1

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Mass

MS-NW-7577          
4-methylphenethylamine
C9H13N              (Mass of molecular ion:    135)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       2.5
      27.0       2.0
      28.0       2.4
      30.0     100.0
      31.0       1.5
      39.0       3.4
      41.0       1.0
      50.0       1.2
      51.0       3.2
      52.0       1.2
      53.0       1.6
      63.0       1.9
      65.0       2.8
      77.0       7.1
      78.0       2.5
      79.0       4.2
      89.0       1.1
      91.0      15.9
      92.0       1.4
     103.0       3.5
     104.0       2.8
     105.0      13.3
     106.0      39.5
     107.0       3.7
     115.0       1.2
     117.0       2.1
     118.0       2.7
     119.0       1.3
     132.0       1.5
     135.0       6.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₃ N	0.05 ml : 0.5 ml CDCl₃
4-methylphenethylamine

    Assign.     Shift(ppm)

      A             7.07
      B             2.89
      C             2.68
      D             2.296
      E             1.81

     Hz     ppm     Int.

    633.13   7.070   1000
    268.13   2.994     38
    265.56   2.966     46
    262.63   2.933     51
    259.06   2.893    172
    257.00   2.870     26
    256.69   2.867     26
    254.31   2.840    135
    253.19   2.828    143
    244.94   2.735    123
    241.44   2.696     30
    239.06   2.670    129
    235.63   2.631     46
    232.75   2.599     36
    230.19   2.571     29
    205.88   2.299    660
    161.88   1.808    413

in CDCl3