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636-93-1

2-甲氧基-5-硝基苯酚(636-93-1)红外图谱(IR2)

分子式:C7H7NO4

分子量: 169.13

InChI:InChI=1S/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3

InChIKey: KXKCTSZYNCDFFG-UHFFFAOYSA-N

Smiles:C1(O)=CC([N+]([O-])=O)=CC=C1OC

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    Mass

    MS-NW-7272          
    2-methoxy-5-nitrophenol
    C7H7NO4             (Mass of molecular ion:    169)
    

       Source Temperature: 140 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          15.0       3.7
          17.0       2.1
          18.0      11.8
          26.0       3.2
          27.0       2.0
          28.0       3.4
          29.0       3.3
          30.0      22.9
          31.0       3.9
          37.0       2.5
          38.0       6.4
          39.0      10.7
          40.0       1.2
          41.0      10.2
          42.0       1.7
          43.0       1.8
          49.0       2.7
          50.0      11.5
          51.0      25.3
          52.0      31.9
          53.0      13.5
          54.0       3.0
          55.0      10.5
          61.0       3.0
          62.0       7.4
          63.0      10.0
          64.0       2.7
          65.0      24.6
          66.0       2.5
          67.0       5.9
          68.0       4.8
          69.0       2.8
          77.0      10.6
          78.0       1.1
          79.0      17.2
          80.0      16.2
          81.0       1.4
          91.0       4.1
          92.0       1.9
          93.0       5.6
          94.0       2.1
          95.0       1.8
          96.0       7.3
         107.0       3.3
         108.0      25.4
         109.0       2.4
         111.0      12.2
         123.0      25.8
         124.0       2.4
         139.0      22.8
         140.0       3.0
         153.0       2.4
         154.0       1.5
         169.0     100.0
         170.0       8.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H7 N O4 0.041 g : 0.5 ml CDCl3
    2-methoxy-5-nitrophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.831 B 7.773 C 6.915 D 5.95 E 4.014

         Hz     ppm     Int.
    

       3135.86   7.847     99
       3133.18   7.840    115
       3126.95   7.825    101
       3124.39   7.818    122
       3107.91   7.777    226
       3105.22   7.770    184
       2768.07   6.927    185
       2759.16   6.904    176
       2378.42   5.952     54
       1604.25   4.015   1000
    

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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