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Back ChemicalBook Home>CAS DataBase List>1003-73-2More Spectrum> 3-Picoline-N-oxide(1003-73-2) IR1

1003-73-2

3-Picoline-N-oxide(1003-73-2) IR1

Product Name3-Picoline-N-oxide

CAS1003-73-2

Molecular FormulaC6H7NO

Molecular Weight109.13

InChIInChI=1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

InChIKey DMGGLIWGZFZLIY-UHFFFAOYSA-N

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

  • 3-Picoline-N-oxide(1003-73-2) IR1
    Mass

    MS-NW-1345          
    3-methylpyridine N-oxide
    C6H7NO              (Mass of molecular ion:    109)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.5
          17.0       1.3
          18.0       6.5
          26.0       3.1
          27.0      13.5
          28.0       7.6
          29.0       2.0
          30.0       1.6
          37.0       4.3
          38.0       9.1
          39.0      50.4
          40.0      10.7
          41.0       6.0
          42.0       2.9
          43.0       9.1
          44.0       2.7
          45.0       2.0
          50.0       7.1
          51.0      12.7
          52.0       7.7
          53.0      34.6
          54.0      17.8
          54.5       1.0
          55.0       2.6
          60.0       1.7
          61.0       2.1
          62.0       3.5
          63.0       7.5
          64.0       3.3
          65.0      21.9
          66.0      23.6
          67.0       6.5
          77.0       4.8
          78.0       4.6
          80.0      12.6
          81.0      11.8
          82.0       5.1
          92.0      17.8
          93.0      53.7
          94.0       3.7
         109.0     100.0
         110.0       7.1
    

90 MHz in CDCl3

  • 3-Picoline-N-oxide(1003-73-2) IR1

    1H NMR 89.56 MHz
    C6 H7 N O 0.04 ml : 0.5 ml CDCl3
    3-methylpyridine N-oxide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.10 B 8.07 C 7.20 D 7.11 E 2.33

         Hz     ppm     Int.
    

        726.81   8.116    184
        726.06   8.107    206
        725.06   8.096    268
        724.50   8.090    270
        722.75   8.071    150
        722.00   8.062    104
        720.63   8.047    106
        720.00   8.040    107
        718.88   8.027     53
        718.25   8.020     44
        654.25   7.306     41
        646.50   7.219    151
        644.88   7.201     91
        642.75   7.177    112
        642.13   7.170    153
        640.25   7.149    310
        211.44   2.361     31
        208.75   2.331    939
        208.31   2.326   1000
    

in CDCl3

  • 3-Picoline-N-oxide(1003-73-2) IR1

liquid film

  • 3-Picoline-N-oxide(1003-73-2) IR1

  • 3-Picoline-N-oxide(1003-73-2) IR1

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