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返回ChemicalBook首页>CAS数据库列表>20781-21-9更多图谱> 2,4-二甲氧基苄胺盐酸盐(20781-21-9)核磁图(13CNMR)

20781-21-9

2,4-二甲氧基苄胺盐酸盐(20781-21-9)核磁图(13CNMR)

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

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    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

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

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KBr disc

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nujol mull

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