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返回ChemicalBook首页>CAS数据库列表>5367-32-8更多图谱> 3-甲基-4-硝基苯甲醚(5367-32-8)核磁图(1HNMR)

5367-32-8

3-甲基-4-硝基苯甲醚(5367-32-8)核磁图(1HNMR)

分子式:C8H9NO3

分子量: 167.16

InChI:InChI=1S/C8H9NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3

InChIKey: RTZOGYCMIMOVHU-UHFFFAOYSA-N

Smiles:C1([N+]([O-])=O)=CC=C(OC)C=C1C

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    Mass

    MS-NW-6903          
    3-methyl-4-nitroanisole
    C8H9NO3             (Mass of molecular ion:    167)
    

       Source Temperature: 120 °C
       Sample Temperature:  70 °C
       Direct, 75 eV
    

          15.0       4.6
          18.0       2.3
          26.0       1.6
          27.0       4.7
          28.0       3.7
          29.0       1.9
          30.0       3.7
          37.0       1.7
          38.0       5.3
          39.0      16.8
          40.0       2.7
          41.0       6.7
          42.0       1.3
          43.0       2.0
          45.0       1.3
          50.0       9.1
          51.0      21.7
          52.0      17.4
          53.0       8.8
          54.0       1.5
          55.0       3.9
          59.0       1.9
          61.0       1.6
          62.0       5.1
          63.0      13.8
          64.0       4.6
          65.0      21.2
          66.0       6.5
          67.0       3.6
          68.0       1.4
          74.0       2.6
          75.0       2.3
          76.0       2.6
          77.0      29.9
          78.0      29.8
          79.0       7.6
          80.0       3.8
          81.0       2.0
          86.0       1.0
          89.0       8.1
          90.0       8.3
          91.0      28.1
          92.0      10.1
          93.0       2.2
          94.0       6.8
          95.0      26.6
          96.0       2.3
         105.0       4.5
         106.0      14.1
         107.0       6.4
         108.0       5.8
         109.0       5.0
         120.0       2.3
         121.0       8.4
         122.0      20.7
         123.0       2.9
         134.0       1.2
         135.0       3.3
         136.0       5.3
         137.0       8.2
         138.0       1.5
         150.0     100.0
         151.0       9.9
         152.0       1.3
         167.0      84.9
         168.0       8.4
         169.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H9 N O3 0.038 g : 0.5 ml CDCl3
    3-methyl-4-nitroanisole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.076 B 6.797 C 6.78 D 3.879 E 2.627

         Hz     ppm     Int.
    

       3232.18   8.088    133
       3223.27   8.066    138
       2723.39   6.815     56
       2720.58   6.808     80
       2714.23   6.792     40
       2711.67   6.786    105
       2709.11   6.779    140
       2706.91   6.774     66
       2706.30   6.772     72
       1550.42   3.880   1000
       1049.80   2.627    611
    

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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