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返回ChemicalBook首页>CAS数据库列表>5081-42-5更多图谱> 2-硝基-3,4,5-三甲氧基苯甲酸甲酯(5081-42-5)核磁图(13CNMR)

5081-42-5

2-硝基-3,4,5-三甲氧基苯甲酸甲酯(5081-42-5)核磁图(13CNMR)

分子式:C11H13NO7

分子量: 271.22

InChI:InChI=1S/C11H13NO7/c1-16-7-5-6(11(13)19-4)8(12(14)15)10(18-3)9(7)17-2/h5H,1-4H3

InChIKey: HCEIEWYPDCDNNU-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7991          
    methyl 3,4,5-trimethoxy-2-nitrobenzoate
    C11H13NO7           (Mass of molecular ion:    271)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0      22.3
          18.0       3.1
          27.0       1.7
          28.0       4.6
          29.0       1.6
          30.0       2.9
          37.0       2.8
          38.0       1.0
          39.0       4.3
          41.0       2.0
          43.0       3.2
          45.0       5.9
          49.0       1.8
          50.0       2.9
          51.0       3.4
          52.0       5.1
          53.0       7.3
          55.0       1.3
          59.0      18.8
          61.0       1.4
          62.0       1.6
          63.0       1.9
          64.0       1.2
          65.0       6.4
          66.0       6.1
          67.0       2.2
          68.0       1.8
          69.0       3.4
          74.0       1.0
          75.0       5.9
          76.0       5.7
          77.0       9.0
          78.0       4.5
          79.0       3.1
          80.0       4.2
          81.0       2.9
          82.0       2.1
          83.0       1.8
          91.0       2.2
          92.0       2.3
          93.0      17.1
          94.0       4.9
          95.0       6.7
          96.0       2.4
          99.0       2.5
         103.0       2.7
         104.0       1.6
         105.0       3.0
         106.0       2.9
         107.0       3.7
         108.0       2.9
         109.0       2.7
         110.0       2.9
         111.0       2.2
         119.0       3.5
         120.0       2.6
         121.0       2.6
         122.0       4.6
         123.0       6.6
         124.0       4.1
         125.0       2.3
         126.0       1.6
         127.0       3.8
         133.0       1.0
         134.0       1.2
         135.0       5.3
         136.0       3.2
         137.0       4.1
         138.0       6.8
         139.0       7.6
         140.0       3.3
         149.0       4.1
         150.0       5.6
         151.0       4.3
         152.0       4.4
         153.0       4.8
         154.0       4.9
         155.0       3.2
         163.0       1.2
         164.0       2.2
         165.0       7.4
         166.0      10.1
         167.0       8.7
         168.0       2.3
         169.0       1.7
         178.0       1.3
         179.0       4.6
         180.0       5.1
         181.0       4.5
         182.0       3.3
         183.0       4.5
         193.0       1.3
         194.0       3.8
         195.0      18.0
         196.0       3.8
         197.0       2.7
         198.0       7.9
         208.0       1.5
         209.0       7.4
         210.0       9.5
         211.0       2.6
         212.0       1.1
         213.0       6.9
         224.0       1.5
         225.0       2.8
         228.0       1.0
         240.0       6.7
         241.0       6.3
         242.0       1.0
         254.0       1.1
         256.0       3.4
         271.0     100.0
         272.0      12.5
         273.0       2.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C11 H13 N O7 0.040 g : 0.5 ml CDCl3
    methyl 3,4,5-trimethoxy-2-nitrobenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.279 B 3.970 C *1 3.958 D *1 3.95 E 3.880

         Hz     ppm     Int.
    

        652.00   7.281    205
        355.63   3.971    810
        354.56   3.959   1000
        350.75   3.917     58
        350.44   3.913     59
        347.56   3.881    590
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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