對三氟甲氧基苯胺(461-82-5)質(zhì)譜(MS)

產(chǎn)品名稱:對三氟甲氧基苯胺

CAS:461-82-5

分子式:C7H6F3NO

分子量: 177.12

InChI:InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2

InChIKey: XUJFOSLZQITUOI-UHFFFAOYSA-N

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

Mass

MS-IW-3594          
p-(trifluoromethoxy)aniline
C7H6F3NO            (Mass of molecular ion:    177)

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

      26.0       1.0
      27.0       2.0
      28.0       3.1
      38.0       1.5
      39.0       3.4
      41.0       1.5
      46.0       1.1
      50.0       1.6
      51.0       2.9
      52.0       9.1
      53.0      11.3
      54.0       2.8
      62.0       1.6
      63.0       3.3
      64.0       1.5
      65.0       4.3
      69.0      10.3
      78.0       1.2
      79.0       2.7
      80.0      31.4
      81.0       2.1
      83.0       2.4
      90.0       1.0
      92.0      12.7
     101.0       1.1
     108.0      98.3
     109.0       7.4
     110.0       1.1
     149.0       2.5
     176.0       3.2
     177.0     100.0
     178.0       8.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ F₃ N O	0.05 ml : 0.5 ml CDCl₃
p-(trifluoromethoxy)aniline

    Assign.     Shift(ppm)

      A             6.983
      B             6.575
      C             3.59

     Hz     ppm     Int.

   2798.95   7.004     61
   2797.97   7.002     77
   2795.53   6.995    453
   2794.68   6.993    489
   2793.70   6.991    323
   2792.36   6.988    193
   2788.82   6.979    187
   2786.50   6.973    526
   2785.64   6.971    522
   2783.20   6.965    100
   2782.23   6.962     79
   2635.50   6.595    137
   2632.08   6.586   1000
   2629.76   6.581    375
   2625.37   6.570    347
   2623.05   6.564    919
   2619.63   6.555    118
   1434.57   3.590    289

in CDCl3