5446-92-4

5-硝基-2-甲氧基吡啶(5446-92-4)質(zhì)譜(MS)

產(chǎn)品名稱:5-硝基-2-甲氧基吡啶

CAS:5446-92-4

分子式:C6H6N2O3

分子量: 154.12

InChI:InChI=1S/C6H6N2O3/c1-11-6-3-2-5(4-7-6)8(9)10/h2-4H,1H3

InChIKey: WUPLOZFIOAEYMG-UHFFFAOYSA-N

Smiles:C1(OC)=NC=C([N+]([O-])=O)C=C1

Mass

MS-NW-6700          
2-methoxy-5-nitropyridine
C6H6N2O3            (Mass of molecular ion:    154)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       5.9
      18.0       2.1
      26.0       5.7
      27.0       7.8
      28.0       9.1
      29.0       3.1
      30.0       9.2
      37.0       8.6
      38.0      29.3
      39.0      20.8
      40.0       2.0
      41.0       1.8
      42.0       7.6
      46.0       2.9
      49.0       2.2
      50.0      15.4
      51.0      20.7
      52.0       9.5
      53.0      17.7
      54.0       4.2
      55.0       4.5
      63.0       2.7
      64.0      10.3
      65.0      13.7
      66.0      26.1
      67.0       2.9
      68.0       2.5
      69.0       3.0
      75.0       3.5
      76.0       5.6
      77.0       4.8
      78.0      41.8
      79.0      11.0
      80.0       5.7
      81.0      18.1
      82.0       2.2
      90.0       2.5
      93.0      38.3
      94.0       3.0
      96.0       3.3
     107.0      11.4
     108.0      35.6
     109.0       4.7
     123.0       1.8
     124.0      52.3
     125.0      27.3
     126.0       2.0
     138.0       2.9
     153.0      87.1
     154.0     100.0
     155.0       8.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₆ N₂ O₃	0.042 g : 0.5 ml CDCl₃
2-methoxy-5-nitropyridine

    Assign.     Shift(ppm)

      A             9.077
      B             8.341
      C             6.829
      D             4.055
     
     J(A,B)=2.8HZ, J(A,C)=0.6HZ, J(B,C)=9.1HZ

     Hz     ppm     Int.

    814.38   9.094     45
    811.81   9.065     50
    753.38   8.413     73
    750.56   8.381     68
    744.25   8.311     82
    741.44   8.279     79
    616.25   6.881     73
    615.69   6.875     75
    607.13   6.780     63
    606.56   6.773     67
    363.19   4.056   1000

in CDCl3