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591-31-1

3-甲氧基苯甲醛(591-31-1)核磁图(13CNMR)

产品名称:3-甲氧基苯甲醛

CAS:591-31-1

分子式:C8H8O2

分子量: 136.15

InChI:InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3

InChIKey: WMPDAIZRQDCGFH-UHFFFAOYSA-N

Smiles:C(=O)C1=CC=CC(OC)=C1

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    Mass

    MS-NW-0750          
    m-methoxybenzaldehyde
    C8H8O2              (Mass of molecular ion:    136)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.1
          27.0       1.0
          28.0       2.6
          29.0       2.3
          37.0       1.6
          38.0       4.5
          39.0      10.3
          50.0       6.8
          51.0       8.2
          52.0       1.2
          53.0       1.4
          61.0       1.3
          62.0       3.3
          63.0      10.4
          64.0      10.3
          65.0      16.4
          66.0       1.2
          74.0       3.1
          75.0       2.4
          76.0       4.3
          77.0      29.9
          78.0       7.7
          79.0       3.6
          92.0      14.7
          93.0       2.8
         105.0       3.1
         106.0       1.2
         107.0      33.7
         108.0       4.8
         135.0      88.0
         136.0     100.0
         137.0       9.0
         138.0       1.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H8 O2 0.04 ml : 0.5 ml CDCl3
    m-methoxybenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.966 B 7.44 C 7.44 D 7.37 E 7.18 F 3.852

         Hz     ppm     Int.
    

        892.52   9.966    390
        669.41   7.475    113
        668.98   7.470     97
        668.38   7.463    105
        665.65   7.433     83
        664.54   7.421    162
        663.51   7.409    175
        662.06   7.393     79
        660.86   7.379     86
        659.92   7.369     85
        658.98   7.358     43
        650.70   7.266     23
        647.19   7.227     72
        644.46   7.196     49
        643.09   7.181     43
        641.98   7.169     33
        639.59   7.142     38
        638.31   7.128     27
        635.14   7.092     25
        344.96   3.852   1000
    

in CDCl3

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CCl4 solution

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liquid film

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