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返回ChemicalBook首页>CAS数据库列表>23876-13-3更多图谱> 2-甲基-3-硝基苯甲醇(23876-13-3)红外图谱(IR1)

23876-13-3

2-甲基-3-硝基苯甲醇(23876-13-3)红外图谱(IR1)

分子式:C8H9NO3

分子量: 167.16

InChI:InChI=1S/C8H9NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4,10H,5H2,1H3

InChIKey: QJANIQCEDPJNLO-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6689          
    2-methyl-3-nitrobenzyl alcohol
    C8H9NO3             (Mass of molecular ion:    167)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.8
          26.0       1.1
          27.0       7.2
          28.0       6.0
          29.0       4.3
          30.0       3.6
          31.0       6.6
          37.0       1.4
          38.0       3.5
          39.0      21.7
          40.0       2.8
          41.0      10.3
          42.0       1.7
          43.0      37.2
          44.0       1.3
          50.0       7.4
          51.0      18.8
          52.0       5.8
          53.0       9.1
          54.0       1.1
          55.0       3.3
          60.0       1.0
          61.0       1.8
          62.0       5.3
          63.0      15.0
          64.0       6.0
          65.0      34.6
          66.0       7.8
          67.0       3.2
          74.0       2.8
          75.0       3.2
          76.0       3.6
          77.0      50.4
          78.0      16.0
          79.0       5.3
          80.0       1.2
          81.0       1.5
          86.0       1.2
          87.0       1.1
          89.0      13.6
          90.0       9.1
          91.0      62.0
          92.0      21.4
          93.0      10.2
          94.0       7.4
          95.0       1.0
         102.0       3.8
         103.0       6.8
         104.0       7.9
         105.0       8.5
         106.0       3.2
         107.0       2.6
         108.0       1.1
         118.0       2.8
         119.0       6.5
         120.0      12.3
         121.0       4.6
         122.0       1.5
         132.0     100.0
         133.0       9.9
         134.0       1.1
         135.0       1.4
         148.0       1.4
         149.0      26.5
         150.0      48.2
         151.0       5.0
         152.0       3.7
         167.0      11.2
         168.0       1.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H9 N O3 0.041 g : 0.5 ml CDCl3
    2-methyl-3-nitrobenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.69 B 7.63 C 7.324 D 4.757 E 2.415 F 2.17

         Hz     ppm     Int.
    

        693.63   7.745     65
        692.19   7.729     75
        688.19   7.685     61
        687.81   7.680     63
        686.19   7.662    118
        684.44   7.643    138
        680.13   7.595    130
        661.75   7.389    112
        653.94   7.302    124
        646.13   7.215     42
        426.06   4.758    507
        216.31   2.416   1000
        194.56   2.173    134
    

in CDCl3

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KBr disc

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nujol mull

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