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Back ChemicalBook Home>CAS DataBase List>1003-67-4More Spectrum> 4-Picoline-N-oxide(1003-67-4) ESR

4-Picoline-N-oxide(1003-67-4) ESR

Product Name4-Picoline-N-oxide

CAS1003-67-4

Molecular FormulaC6H7NO

Molecular Weight109.13

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

InChIKey IWYYIZOHWPCALJ-UHFFFAOYSA-N

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


  • Mass

    MS-NW-1264          
    4-methylpyridine 1-oxide
    C6H7NO              (Mass of molecular ion:    109)
    

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

          18.0       3.4
          26.0       3.0
          27.0      12.3
          28.0       5.8
          29.0       1.1
          30.0       1.7
          37.0       2.4
          38.0       4.9
          39.0      29.3
          40.0       5.7
          41.0       6.7
          42.0       1.4
          44.0       1.5
          49.0       1.2
          50.0       8.0
          51.0      14.3
          52.0       7.9
          53.0      27.8
          54.0      14.1
          55.0       1.4
          61.0       1.0
          62.0       2.0
          63.0       4.9
          64.0       2.7
          65.0      13.7
          66.0      14.4
          67.0       3.6
          77.0       7.6
          78.0       3.5
          80.0       9.2
          81.0       8.0
          82.0       2.5
          91.0       4.5
          92.0      10.3
          93.0      30.5
          94.0       2.1
         108.0       9.1
         109.0     100.0
         110.0       7.2
    

parameter in CCl4


  • 1H NMR 300 MHz
    C6 H7 N O in CCl4
    4-methylpyridine 1-oxide
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.87 D(B) 6.97 J(A,A') 1.8 J(A,B) 6.4 J(A,B') 0.4 J(A',B) 0.4 J(A',B') 6.4 J(B,B') 2.8 D(C) 2.30 ABRAMOVITCH,R.A. & DAVIS,J.B. J.CHEM.SOC.B 1966, 1137 J(A,A') AND J(B,B') : CA.VALUE.

         Hz     ppm     Int.
    

       2367.10   7.890     93
       2364.51   7.882    902
       2362.59   7.875    360
       2359.57   7.865    366
       2357.65   7.859    941
       2355.00   7.850    100
       2097.01   6.990    100
       2094.41   6.981    941
       2092.49   6.975    366
       2089.48   6.965    360
       2087.56   6.959    893
       2084.91   6.950     92
        689.98   2.300   1000
    

CCl4 solution



KBr disc



liquid film



nujol mull





ANION RADICAL, ELECTROLYSIS IN LIQ. AMMONIA, RT



4-Picoline-N-oxide(1003-67-4) ESR Atlas of Related Products

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