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Back ChemicalBook Home>CAS DataBase List>712-97-0More Spectrum> 6-NITROPIPERONAL(712-97-0) IR2

6-NITROPIPERONAL(712-97-0) IR2

Product Name6-NITROPIPERONAL

CAS712-97-0

Molecular FormulaC8H5NO5

Molecular Weight195.13

InChIInChI=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

SmilesO1C2=CC([N+]([O-])=O)=C(C=O)C=C2OC1


  • 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


  • 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



KBr disc



nujol mull





6-NITROPIPERONAL(712-97-0) IR2 Atlas of Related Products

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