4-Methylbenzylamine(104-84-7) ¹³C NMR

Product Name4-Methylbenzylamine

CAS 104-84-7

Molecular FormulaC8H11N

Molecular Weight121.18

InChIInChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3

InChIKey HMTSWYPNXFHGEP-UHFFFAOYSA-N

SmilesC1(CN)=CC=C(C)C=C1

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Mass

MS-NW-5855          
p-methylbenzylamine
C8H11N              (Mass of molecular ion:    121)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       4.1
      28.0      20.3
      29.0       3.9
      30.0      26.3
      38.0       2.0
      39.0      10.1
      40.0       1.2
      41.0       3.1
      42.0       1.0
      46.0       1.2
      50.0       3.8
      51.0       7.9
      52.0       2.8
      53.0       2.8
      54.0       1.2
      58.0       2.1
      59.5       7.9
      60.0       1.1
      62.0       2.2
      63.0       5.7
      64.0       1.6
      65.0      10.8
      66.0       1.5
      74.0       1.1
      76.0       1.1
      77.0      23.9
      78.0       6.4
      79.0      16.0
      80.0       1.9
      89.0       3.4
      90.0       1.8
      91.0      31.2
      92.0       7.8
      93.0      35.6
      94.0       3.1
     102.0       1.1
     103.0       6.5
     104.0     100.0
     105.0      29.1
     106.0      54.0
     107.0       5.8
     117.0       1.4
     118.0       4.4
     119.0       2.8
     120.0      77.5
     121.0      34.0
     122.0       4.2
     223.0       1.2

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A          7.32 to 6.96
      B             3.795
      C             2.320
      D             1.42

     Hz     ppm     Int.

    649.25   7.250     27
    648.06   7.237     23
    640.38   7.151    735
    636.69   7.110     31
    631.38   7.050     24
    631.00   7.046     25
    339.88   3.795    459
    207.81   2.321    745
    126.69   1.415   1000

in CDCl3