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555-03-3

3-硝基苯甲醚(555-03-3)核磁图(13CNMR)

产品名称:3-硝基苯甲醚

CAS:555-03-3

分子式:C7H7NO3

分子量: 153.14

InChI:InChI=1S/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3

InChIKey: WGYFINWERLNPHR-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1740          
    m-nitroanisole
    C7H7NO3             (Mass of molecular ion:    153)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       3.4
          18.0       1.2
          26.0       2.1
          27.0       3.5
          28.0       5.1
          29.0       2.5
          30.0       8.9
          37.0       5.6
          38.0      18.1
          39.0      10.2
          41.0       6.3
          46.0       1.2
          49.0       1.7
          50.0      25.1
          51.0      14.2
          52.0       7.6
          53.0       4.7
          55.0       1.3
          61.0       4.2
          62.0      11.2
          63.0      48.3
          64.0      55.3
          65.0       6.6
          66.0       2.2
          67.0       1.2
          73.0       1.7
          74.0       9.7
          75.0       8.0
          76.0      12.5
          77.0     100.0
          78.0       8.7
          79.0       6.1
          80.0       3.9
          92.0      91.4
          93.0       6.6
          95.0      26.1
          96.0       1.7
         106.0       1.1
         107.0      51.4
         108.0       4.9
         123.0       2.7
         153.0      79.5
         154.0       6.5
    

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in CDCl3

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CCl4 solution

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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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