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Back ChemicalBook Home>CAS DataBase List>13602-12-5More Spectrum> Pyridine-4-carboxylic acid N-oxide(13602-12-5) Raman

13602-12-5

Pyridine-4-carboxylic acid N-oxide(13602-12-5) Raman

Molecular FormulaC6H5NO3

Molecular Weight139.11

InChIInChI=1S/C6H5NO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4H,(H,8,9)

InChIKey QCWTWMJMLSKQCJ-UHFFFAOYSA-N

SmilesC1[N+]([O-])=CC=C(C(O)=O)C=1

  • Pyridine-4-carboxylic acid N-oxide(13602-12-5) Raman
    Mass

    MS-IW-0759          
    isonicotinic acid 1-oxide
    C6H5NO3             (Mass of molecular ion:    139)
    

       Source Temperature: 130 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          18.0       5.5
          28.0       2.2
          38.0       2.5
          39.0       8.9
          40.0       1.3
          41.0       1.1
          45.0       1.3
          50.0       3.2
          51.0       5.2
          52.0       2.1
          53.0       1.9
          54.0       1.0
          55.0       1.9
          55.5       1.5
          61.0       1.3
          62.0       1.3
          63.0       3.8
          64.0       1.5
          65.0       1.7
          66.0       2.9
          67.0       1.3
          77.0       1.3
          78.0       4.0
          84.0       1.6
          92.0       1.1
          93.0       1.2
          94.0       8.5
          95.0       5.7
         105.0       1.9
         106.0       4.3
         111.0       1.3
         122.0      18.0
         123.0      14.1
         124.0       1.1
         139.0     100.0
         140.0       7.5
    

400 MHz in DMSO-d6

  • Pyridine-4-carboxylic acid N-oxide(13602-12-5) Raman

    1H NMR 399.65 MHz
    C6 H5 N O3 0.035 g : 0.5 ml DMSO-d6
    isonicotinic acid 1-oxide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.6 B 8.325 C 7.854

         Hz     ppm     Int.
    

       3333.47   8.341    126
       3331.12   8.336    959
       3328.98   8.330    366
       3325.78   8.322    390
       3323.86   8.317   1000
       3321.29   8.311    132
       3145.22   7.870    136
       3142.65   7.864    986
       3140.73   7.859    374
       3137.52   7.851    381
       3135.39   7.846    891
       3133.04   7.840    120
    

in DMSO-d6

  • Pyridine-4-carboxylic acid N-oxide(13602-12-5) Raman

KBr disc

  • Pyridine-4-carboxylic acid N-oxide(13602-12-5) Raman

nujol mull

  • Pyridine-4-carboxylic acid N-oxide(13602-12-5) Raman

  • Pyridine-4-carboxylic acid N-oxide(13602-12-5) Raman

Pyridine-4-carboxylic acid N-oxide(13602-12-5) Raman Atlas of Related Products

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