3-甲基-1-苯基吡啶(1128-54-7)質(zhì)譜(MS)

產(chǎn)品名稱:3-甲基-1-苯基吡啶

CAS:1128-54-7

分子式:C10H10N2

分子量: 158.2

InChI:InChI=1S/C10H10N2/c1-9-7-8-12(11-9)10-5-3-2-4-6-10/h2-8H,1H3

InChIKey: RJXLUGSJEMSDPK-UHFFFAOYSA-N

Smiles:N1(C2=CC=CC=C2)C=CC(C)=N1

Mass

MS-IW-0984          
3-methyl-1-phenylpyrazole
C10H10N2            (Mass of molecular ion:    158)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      39.0       1.5
      50.0       1.3
      51.0       7.8
      52.0       1.3
      54.0       1.2
      55.0       2.2
      63.0       1.5
      64.0       1.5
      65.0       1.2
      77.0      20.1
      78.0       3.3
      79.0       2.2
      81.0       2.5
      89.0       3.9
      90.0       8.8
      91.0       2.3
     103.0       1.3
     104.0       3.1
     115.0       1.0
     116.0       3.1
     117.0       5.0
     118.0       1.8
     129.0       1.1
     130.0      17.0
     131.0       2.7
     132.0       1.2
     142.0       1.9
     143.0       1.7
     156.0       2.6
     157.0      47.9
     158.0     100.0
     159.0      11.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₀ N₂	0.037 g : 0.5 ml CDCl₃
3-methyl-1-phenylpyrazole

    Assign.     Shift(ppm)

      A             7.789
      B             7.636
      C             7.405
      D             7.230
      E             6.226
      F             2.373

     Hz     ppm     Int.

   3114.26   7.793    170
   3111.94   7.787    174
   3057.62   7.651    175
   3056.40   7.648    217
   3054.44   7.643     69
   3050.78   7.634     75
   3049.93   7.632    126
   3048.83   7.629    234
   3047.85   7.627    226
   3045.65   7.621     39
   2969.73   7.431     38
   2967.90   7.427    161
   2965.70   7.421     64
   2962.40   7.413     45
   2960.45   7.408    220
   2959.47   7.406    183
   2953.74   7.391     68
   2951.78   7.386    177
   2949.83   7.382     33
   2895.87   7.247     66
   2894.65   7.243     99
   2893.55   7.241     59
   2888.79   7.229     54
   2887.33   7.225    145
   2885.86   7.221     55
   2880.98   7.209     39
   2879.88   7.207     67
   2878.78   7.204     40
   2489.75   6.230    165
   2487.30   6.224    167
    948.49   2.374   1000

in CDCl3