2-Aminobenzyl alcohol(5344-90-1) ¹³C NMR

Product Name2-Aminobenzyl alcohol

CAS 5344-90-1

Molecular FormulaC7H9NO

Molecular Weight123.15

InChIInChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2

InChIKey VYFOAVADNIHPTR-UHFFFAOYSA-N

SmilesC1(CO)=CC=CC=C1N

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Mass

MS-NW-6136          
o-aminobenzyl alcohol
C7H9NO              (Mass of molecular ion:    123)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      17.0       2.0
      18.0       9.2
      26.0       1.1
      27.0       3.9
      28.0       5.5
      29.0       2.3
      30.0       2.5
      31.0       1.4
      37.0       2.1
      38.0       4.5
      39.0      13.3
      40.0       2.3
      41.0       4.9
      42.0       1.9
      46.5       1.3
      50.0       5.8
      51.0      13.2
      52.0       9.8
      53.0       3.5
      54.0       2.5
      61.0       2.8
      62.0       2.3
      63.0       4.5
      64.0       2.6
      65.0      12.0
      66.0       6.9
      67.0       3.1
      74.0       1.7
      75.0       1.7
      76.0       3.7
      77.0      33.6
      78.0      47.9
      79.0       9.2
      80.0       1.7
      91.0       2.0
      92.0       6.7
      93.0      11.7
      94.0      17.0
      95.0       1.5
     103.0       1.2
     104.0      72.6
     105.0      83.7
     106.0      27.6
     107.0       3.8
     120.0       2.6
     121.0       1.5
     122.0       6.7
     123.0     100.0
     124.0       8.4
     198.0       1.3
     210.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₉ N O	0.043 g : 0.5 ml CDCl₃
o-aminobenzyl alcohol

    Assign.     Shift(ppm)

      A             7.08
      B             7.00
      C             6.68
      D             6.65
      E             4.537
      F             3.52
     
     J(A,B)=1.7HZ. J(C,D)=1.3HZ.

     Hz     ppm     Int.

    644.88   7.201     61
    643.06   7.181     74
    637.31   7.117    136
    635.63   7.098    160
    633.75   7.077     48
    629.94   7.034    189
    628.25   7.015    187
    623.69   6.964    173
    622.50   6.951    153
    606.44   6.772    126
    605.13   6.757    195
    597.94   6.677    439
    591.75   6.608     70
    590.38   6.593    216
    406.38   4.538   1000
    314.81   3.516    490

in CDCl3