氟代二甲基苯胺(403-46-3)質(zhì)譜(MS)

產(chǎn)品名稱:氟代二甲基苯胺

CAS:403-46-3

分子式:C8H10FN

分子量: 139.17

InChI:InChI=1S/C8H10FN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3

InChIKey: YJEHCGOJNJUOII-UHFFFAOYSA-N

Smiles:C1(N(C)C)=CC=C(F)C=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3683          
p-fluoro-N,N-dimethylaniline
C8H10FN             (Mass of molecular ion:    139)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.1
      39.0       1.1
      42.0       5.3
      44.0       1.2
      50.0       2.1
      51.0       1.9
      57.0       2.8
      61.0       2.1
      63.0       1.3
      69.0       3.8
      69.5       3.8
      70.0       1.3
      74.0       1.3
      75.0       6.8
      77.0       1.9
      81.0       1.1
      83.0       2.5
      91.0       1.9
      94.0       1.0
      95.0      15.1
      96.0       5.8
      97.0       3.8
     108.0       1.5
     109.0       4.3
     110.0       2.5
     111.0       1.3
     117.0       1.1
     121.0       1.0
     122.0      15.4
     123.0      17.4
     124.0       4.5
     136.0       4.9
     137.0       1.8
     138.0     100.0
     139.0      71.6
     140.0       6.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₀ F N	0.039 g : 0.5 ml CDCl₃
p-fluoro-N,N-dimethylaniline

    Assign.     Shift(ppm)

      A             6.933
      B             6.668
      C             2.882

     Hz     ppm     Int.

   2780.64   6.958     75
   2778.20   6.952     28
   2773.80   6.941     32
   2771.36   6.935    124
   2769.90   6.931     37
   2765.38   6.920     31
   2762.94   6.914    102
   2671.63   6.685     87
   2669.31   6.680     29
   2667.24   6.674     89
   2664.79   6.668     48
   2662.48   6.663     77
   2660.40   6.657     29
   2658.08   6.652     78
   1151.73   2.882   1000

in CDCl3