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712-97-0

6-硝基胡椒醛(712-97-0)核磁图(1HNMR)

产品名称:6-硝基胡椒醛

CAS:712-97-0

分子式:C8H5NO5

分子量: 195.13

InChI:InChI=1S/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2

InChIKey: NRZWECORTTWSEF-UHFFFAOYSA-N

Smiles:O1C2=CC([N+]([O-])=O)=C(C=O)C=C2OC1

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    Mass

    MS-NW-7509          
    6-nitropiperonal
    C8H5NO5             (Mass of molecular ion:    195)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          14.0       1.2
          26.0       1.8
          27.0       3.4
          28.0      11.9
          29.0      12.7
          30.0       9.8
          31.0       1.7
          32.0       1.0
          37.0       8.6
          38.0       5.8
          39.0      22.4
          40.0       1.3
          42.0       4.8
          49.0       4.3
          50.0      18.9
          51.0      25.2
          52.0       8.7
          53.0      37.8
          54.0       2.8
          55.0      25.3
          56.0       1.0
          60.0       1.9
          61.0      19.2
          62.0      60.4
          63.0      56.0
          64.0       8.2
          65.0      22.8
          66.0       3.1
          67.0       2.6
          68.0       2.0
          69.0      26.1
          70.0       1.1
          73.0       1.1
          74.0       2.4
          75.0       3.0
          76.0       2.7
          77.0       5.1
          78.0       2.5
          79.0      54.1
          80.0       4.6
          81.0       2.9
          89.0       1.1
          90.0       3.5
          91.0      10.7
          92.0       2.5
          93.0       1.4
          95.0       2.1
         105.0       1.0
         107.0      92.5
         108.0       7.3
         109.0       5.2
         118.0       1.4
         119.0      23.9
         120.0      60.6
         121.0      12.7
         122.0       2.1
         123.0       1.6
         124.0       1.2
         134.0       5.8
         135.0       2.7
         136.0       1.2
         137.0      12.8
         138.0       1.1
         148.0      34.2
         149.0       3.9
         151.0       7.2
         165.0     100.0
         166.0       9.6
         167.0       1.4
         178.0       3.9
         195.0      59.6
         196.0       7.5
         197.0       1.2
         212.0       4.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H5 N O5 0.036 g : 0.5 ml CDCl3
    6-nitropiperonal
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.287 B 7.529 C 7.327 D 6.242

         Hz     ppm     Int.
    

        924.76  10.326     24
        921.39  10.288    581
        674.34   7.530    459
        659.91   7.369     30
        659.62   7.366     30
        656.25   7.328    497
        654.05   7.303     34
        559.13   6.244   1000
    

in CDCl3

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KBr disc

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nujol mull

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