L-1-Phenylethylamine(2627-86-3) IR1

Product NameL-1-Phenylethylamine

CAS 2627-86-3

Molecular FormulaC8H11N

Molecular Weight121.18

InChIInChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/s3

InChIKey RQEUFEKYXDPUSK-KPOCXSGKNA-N

Smiles[C@H](C1C=CC=CC=1)(N)C |&1:0,r|

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Mass

MS-NW-1486          
L-(-)-alpha-methylbenzylamine
C8H11N              (Mass of molecular ion:    121)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.3
      18.0       2.2
      27.0       2.2
      28.0      14.2
      39.0       3.3
      41.0       1.1
      42.0      12.2
      43.0       6.9
      44.0      16.7
      50.0       3.6
      51.0       8.5
      52.0       2.8
      53.0       6.2
      63.0       1.6
      65.0       1.3
      74.0       1.2
      76.0       1.1
      77.0      14.0
      78.0       5.3
      79.0      24.3
      80.0       1.8
      91.0       1.3
     103.0       3.0
     104.0       5.8
     105.0       3.8
     106.0     100.0
     107.0       7.9
     120.0       6.1
     121.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₁ N	0.04 ml : 0.5 ml CDCl₃
L-(-)-alpha-methylbenzylamine

    Assign.     Shift(ppm)

      A          7.48 to 7.04
      B             4.06
      C             1.56
      D             1.356

     Hz     ppm     Int.

    658.50   7.353    114
    656.13   7.327    210
    652.69   7.288    786
    651.50   7.275    232
    650.13   7.260    230
    649.13   7.248     97
    648.69   7.244    102
    647.69   7.232    168
    646.56   7.220     98
    644.75   7.200     57
    644.13   7.193     40
    641.69   7.165     51
    374.69   4.184     35
    368.00   4.109    108
    361.44   4.036    116
    354.88   3.963     42
    139.56   1.559    244
    124.81   1.394   1000
    118.19   1.320    946

in CDCl3