6850-57-3

邻甲氧基苄胺(6850-57-3)质谱(MS)

产品名称:邻甲氧基苄胺

CAS:6850-57-3

分子式:C8H11NO

分子量: 137.18

InChI:InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3

InChIKey: PXJACNDVRNAFHD-UHFFFAOYSA-N

Smiles:C1(CN)=CC=CC=C1OC

Mass

MS-NW-5469          
o-methoxybenzylamine
C8H11NO             (Mass of molecular ion:    137)

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

      15.0       2.9
      18.0       1.8
      27.0       3.1
      28.0      18.0
      29.0       2.8
      30.0      38.9
      37.0       1.3
      38.0       3.5
      39.0      11.6
      40.0       2.0
      41.0       3.6
      42.0       1.5
      50.0       6.1
      51.0      14.9
      52.0       5.3
      53.0       2.1
      54.0       1.8
      55.0       1.0
      61.0       1.0
      62.0       2.2
      63.0       6.5
      64.0       3.5
      65.0      15.6
      66.0       8.4
      67.0       3.8
      74.0       1.9
      75.0       1.8
      76.0       3.2
      77.0      25.4
      78.0      16.7
      79.0      11.0
      80.0       1.3
      89.0       3.4
      90.0       4.1
      91.0      41.1
      92.0       7.7
      93.0      10.9
      94.0      10.3
      95.0       7.9
     102.0       1.7
     103.0       1.3
     104.0      24.7
     105.0      12.1
     106.0      49.2
     107.0      16.1
     108.0      15.9
     109.0      11.7
     110.0       1.0
     119.0      13.2
     120.0      29.1
     121.0      43.3
     122.0      17.3
     123.0       1.5
     133.0       1.3
     134.0       4.4
     136.0     100.0
     137.0      73.6
     138.0       6.9

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             7.22
      B             7.19
      C             6.90
      D             6.86
      E             3.826
      F             3.81
      G             1.54

     Hz     ppm     Int.

    653.81   7.301     26
    649.81   7.256     55
    647.88   7.235     93
    646.25   7.216     43
    643.31   7.184     44
    641.25   7.161     93
    640.75   7.155     79
    639.81   7.144     95
    625.31   6.983     48
    623.94   6.967     79
    617.94   6.900    114
    616.63   6.886    101
    610.63   6.819     35
    609.31   6.804     65
    607.81   6.787     32
    344.44   3.846     27
    342.69   3.827   1000
    340.88   3.807    394
    138.19   1.543    615

in CDCl3