89-93-0

2-Methylbenzylamine(89-93-0) MS

Product Name2-Methylbenzylamine

CAS 89-93-0

Molecular FormulaC8H11N

Molecular Weight121.18

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

InChIKey CJAAPVQEZPAQNI-UHFFFAOYSA-N

SmilesC1(CN)=CC=CC=C1C

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2-Methylbenzylamine(89-93-0) MS
Mass

MS-NW-6161          
o-methylbenzylamine
C8H11N              (Mass of molecular ion:    121)

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

      18.0       1.2
      27.0       2.4
      28.0      10.1
      29.0       1.8
      30.0      17.9
      38.0       1.3
      39.0       6.4
      41.0       1.5
      50.0       2.1
      51.0       4.8
      52.0       1.7
      53.0       1.6
      58.5       1.1
      59.5       2.9
      62.0       1.3
      63.0       3.4
      65.0       5.7
      77.0      12.0
      78.0       9.0
      79.0       8.4
      80.0       1.0
      89.0       2.4
      90.0       1.6
      91.0      14.0
      92.0       3.5
      93.0      12.0
      94.0       1.1
     102.0       1.0
     103.0       8.8
     104.0     100.0
     105.0      16.0
     106.0      12.8
     107.0       1.0
     116.0       1.1
     117.0       2.7
     118.0       2.8
     119.0       1.2
     120.0      14.8
     121.0       6.5

90 MHz in CDCl3

400 MHz in CDCl3

2-Methylbenzylamine(89-93-0) MS

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

    Assign.     Shift(ppm)

      A     *1      7.27
      B     *2      7.19
      C     *2      7.15
      D     *1      7.15
      E             3.833
      F             2.321
      G             1.56

     Hz     ppm     Int.

    656.25   7.328     23
    655.25   7.317     37
    654.88   7.313     38
    652.75   7.289     47
    652.13   7.282     42
    650.81   7.267     63
    647.75   7.233    171
    647.00   7.225     81
    645.63   7.209     30
    643.25   7.183    223
    641.44   7.163    441
    638.50   7.130    417
    636.44   7.107     42
    343.38   3.835    374
    207.94   2.322   1000
    139.94   1.563    188

2-Methylbenzylamine(89-93-0) MS

¹H NMR	399.65 MHz
C₈ H₁₁ N	0.05 ml : 0.5 ml CDCl₃
o-methylbenzylamine

    Assign.     Shift(ppm)

      A     *1      7.24
      B     *2      7.16
      C     *1      7.12
      D     *1      7.11
      E             3.773
      F             2.278
      G             1.81
     
     A,B,C AND D WERE CONFIRMED BY LAOCN PROGRAM.
     90MHZ : HSP-03-686

     Hz     ppm     Int.

   2898.56   7.253    104
   2896.85   7.249    120
   2890.14   7.232    166
   2868.41   7.178     64
   2865.36   7.170     97
   2861.21   7.160    108
   2859.99   7.157    160
   2857.42   7.150    136
   2855.47   7.145    140
   2853.64   7.141    122
   2852.17   7.137    135
   2848.14   7.127    260
   2846.56   7.123    294
   2844.73   7.119    255
   2842.16   7.112    306
   2840.82   7.109    252
   2837.52   7.101     57
   1507.81   3.773    484
    910.52   2.279   1000
    722.17   1.808    140

in CDCl3