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返回ChemicalBook首页>CAS数据库列表>26791-93-5更多图谱> 6-硝基藜芦酸甲酯(26791-93-5)核磁图(1HNMR)

26791-93-5

6-硝基藜芦酸甲酯(26791-93-5)核磁图(1HNMR)

分子式:C10H11NO6

分子量: 241.2

InChI:InChI=1S/C10H11NO6/c1-15-8-4-6(10(12)17-3)7(11(13)14)5-9(8)16-2/h4-5H,1-3H3

InChIKey: SYYKLKHBZGFKOC-UHFFFAOYSA-N

Smiles:C(OC)(=O)C1=CC(OC)=C(OC)C=C1[N+]([O-])=O

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    Mass

    MS-IW-0574          
    methyl 4,5-dimethoxy-2-nitrobenzoate
    C10H11NO6           (Mass of molecular ion:    241)
    

       Source Temperature: 170 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0       4.4
          17.0       1.4
          18.0       7.9
          28.0       2.4
          30.0       3.8
          39.0       4.5
          43.0       1.7
          50.0       5.2
          51.0       1.7
          53.0       3.6
          59.0       7.3
          62.0       1.7
          63.0       1.2
          64.0       1.2
          65.0       2.1
          66.0       3.1
          69.0       4.1
          75.0       2.9
          76.0       1.6
          77.0       7.4
          78.0       3.5
          79.0       4.6
          80.0       1.5
          81.0       2.6
          82.0       7.4
          85.0       1.0
          91.0       1.0
          92.0       2.3
          93.0       8.2
          94.0       3.2
          95.0       1.9
         105.0       1.8
         106.0       1.6
         107.0       2.2
         108.0       1.3
         109.0       4.6
         121.0       4.6
         122.0       4.1
         123.0       3.0
         124.0       2.3
         125.0       1.9
         134.0       2.2
         135.0       1.3
         136.0      14.4
         137.0      11.5
         138.0       1.8
         140.0       1.0
         150.0       1.0
         151.0       3.8
         152.0       4.3
         153.0       1.6
         155.0       4.9
         164.0       1.6
         165.0       6.4
         166.0       1.6
         180.0       5.1
         181.0       4.5
         183.0       4.4
         195.0       9.9
         196.0       1.5
         210.0      29.3
         211.0      11.7
         212.0       1.4
         225.0       1.0
         241.0     100.0
         242.0      11.5
         243.0       1.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H11 N O6 0.037 g : 0.5 ml CDCl3
    methyl 4,5-dimethoxy-2-nitrobenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.434 B 7.087 C 3.962 D 3.895

         Hz     ppm     Int.
    

        665.88   7.436    186
        634.75   7.088    192
        354.94   3.964   1000
        351.63   3.927     85
        348.94   3.897    820
        344.94   3.852     44
        342.44   3.824     24
    

in CDCl3

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KBr disc

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nujol mull

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