Veratrylamine(5763-61-1) IR1

Product NameVeratrylamine

CAS 5763-61-1

Molecular FormulaC9H13NO2

Molecular Weight167.21

InChIInChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3

InChIKey DIVNUTGTTIRPQA-UHFFFAOYSA-N

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

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Mass

MS-NW-5673          
3,4-dimethoxybenzylamine
C9H13NO2            (Mass of molecular ion:    167)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       4.4
      18.0       2.6
      26.0       1.0
      27.0       2.3
      28.0      10.1
      29.0       1.7
      30.0      18.5
      31.0       1.0
      38.0       1.9
      39.0       7.2
      40.0       1.7
      41.0       3.3
      42.0       1.4
      43.0       1.0
      45.0       1.0
      50.0       4.4
      51.0       9.3
      52.0       5.2
      53.0       4.9
      54.0       4.0
      55.0       1.9
      60.0       1.1
      62.0       2.1
      63.0       4.8
      64.0       3.0
      65.0      11.7
      66.0       4.6
      67.0       2.7
      74.0       1.1
      75.0       1.3
      76.0       2.2
      77.0      10.9
      78.0       4.9
      79.0       6.9
      80.0       9.8
      81.0       4.4
      82.0       1.6
      89.0       3.2
      90.0       3.8
      91.0       4.6
      92.0      12.2
      93.0       8.2
      94.0       4.0
      95.0       5.6
      96.0       1.1
      97.0       2.5
     104.0       2.9
     105.0       6.8
     106.0       7.2
     107.0      12.5
     108.0       8.2
     109.0      10.6
     110.0       2.8
     118.0       3.0
     119.0       3.6
     120.0       5.8
     121.0       9.5
     122.0       7.9
     123.0       5.1
     124.0      21.6
     125.0       2.8
     133.0       2.2
     134.0       6.4
     135.0       4.8
     136.0     100.0
     137.0      12.0
     138.0       3.9
     139.0      12.6
     140.0       1.3
     148.0       2.3
     149.0       1.1
     150.0      10.4
     151.0      43.2
     152.0      16.3
     153.0       1.9
     163.0       4.3
     164.0       1.9
     165.0       1.5
     166.0      55.9
     167.0      73.9
     168.0       7.8
     207.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₃ N O₂	0.04 ml : 0.5 ml CDCl₃
3,4-dimethoxybenzylamine

    Assign.     Shift(ppm)

      A             6.87
      B             6.84
      C             6.83
      D     *1      3.886
      E     *1      3.862
      F             3.810
      G             1.46

     Hz     ppm     Int.

    614.94   6.867     97
    614.63   6.863     97
    612.38   6.838    333
    611.50   6.828    176
    348.13   3.888    788
    345.94   3.863   1000
    341.25   3.811    333
    130.63   1.459    308

in CDCl3