20781-21-9

2,4-二甲氧基苄胺盐酸盐(20781-21-9)核磁图(¹³CNMR)

产品名称:2,4-二甲氧基苄胺盐酸盐

CAS:20781-21-9

分子式:C9H14ClNO2

分子量: 203.67

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

InChIKey: KJOWSAVFSCSBMZ-UHFFFAOYSA-N

Smiles:C1(OC)=CC(=CC=C1CN)OC.Cl

Mass

MS-NW-6352          
2,4-dimethoxybenzylamine hydrochloride
C9H13NO2 HCl        (Mass of molecular ion:    167)

   Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       3.6
      18.0       3.0
      27.0       1.6
      28.0       6.7
      29.0       1.0
      30.0      10.7
      35.0       4.0
      36.0      19.3
      37.0       1.3
      38.0       6.2
      39.0       7.4
      41.0       2.9
      42.0       1.1
      50.0       3.1
      51.0       5.9
      52.0       3.7
      53.0       3.0
      54.0       2.4
      55.0       1.1
      62.0       2.2
      63.0       5.4
      64.0       4.3
      65.0       9.7
      66.0       3.4
      67.0       1.8
      68.0       1.0
      69.0       2.4
      74.0       1.0
      76.0       1.6
      77.0      10.3
      78.0       6.3
      79.0       3.7
      80.0       3.6
      81.0       1.6
      89.0       1.1
      90.0       1.0
      91.0       9.6
      92.0       5.8
      93.0       4.7
      94.0       2.9
      95.0       2.6
      96.0       1.6
     105.0       1.8
     106.0       2.8
     107.0       4.4
     108.0       8.1
     109.0       7.0
     110.0       2.0
     119.0       3.7
     120.0       3.5
     121.0      24.0
     122.0       4.8
     123.0       2.6
     124.0       4.7
     125.0       3.5
     134.0      10.6
     135.0       7.0
     136.0      26.5
     137.0       8.1
     138.0       4.5
     139.0       7.0
     149.0       7.3
     150.0      19.5
     151.0      42.7
     152.0      12.6
     153.0       1.2
     163.0       1.8
     166.0     100.0
     167.0      76.1
     168.0       7.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₁₃ N O₂	0.040 g : 0.5 ml DMSO-d₆
2,4-dimethoxybenzylamine hydrochloride

    Assign.     Shift(ppm)

      A             8.43
      B             7.346
      C             6.610
      D             6.544
      E             3.857
      F     *1      3.819
      G     *1      3.777

     Hz     ppm     Int.

   3367.55   8.427    106
   2940.31   7.358    146
   2932.01   7.337    156
   2643.19   6.614    146
   2640.87   6.608    172
   2620.73   6.558    102
   2618.29   6.552     86
   2612.30   6.537     95
   2609.99   6.531     85
   1541.38   3.857    281
   1526.25   3.819    879
   1509.52   3.778   1000

in DMSO-d6