29885-95-8

氮甲基苯胺三氟乙酸(29885-95-8)Raman光谱

产品名称:氮甲基苯胺三氟乙酸

CAS:29885-95-8

分子式:C9H10F3NO2

分子量: 221.18

InChI:InChI=1S/C7H9N.C2HF3O2/c1-8-7-5-3-2-4-6-7;3-2(4,5)1(6)7/h2-6,8H,1H3;(H,6,7)

InChIKey: TXXJGCVOHDSYBC-UHFFFAOYSA-N

Smiles:C(F)(F)(F)C(=O)O.C1(NC)=CC=CC=C1

400 MHz in DMSO-d6

400 MHz in D2O

¹H NMR	399.65 MHz
C₇ H₉ N	0.035 g : 0.5 ml DMSO-d₆
N-methylaniline trifluoroacetate

    Assign.     Shift(ppm)

      A             9.7
      B             7.340
      C             7.08
      D             7.05
      E             2.835

     Hz     ppm     Int.

   2944.03   7.367     21
   2942.20   7.362     98
   2940.06   7.357     37
   2934.88   7.344    148
   2933.65   7.341    148
   2931.67   7.336     28
   2928.16   7.327     48
   2926.18   7.322    130
   2924.04   7.317     21
   2835.85   7.096    110
   2834.93   7.094    147
   2827.30   7.075    151
   2826.39   7.073    148
   2819.21   7.055     80
   2812.81   7.039     27
   2811.74   7.036     37
   1133.12   2.836   1000

¹H NMR	399.65 MHz
C₇ H₉ N	0.031 g : 0.5 ml D₂O
N-methylaniline trifluoroacetate

    Assign.     Shift(ppm)

      A             7.571
      B             7.510
      C             7.447
      D             3.077
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

   3034.79   7.594     76
   3033.08   7.590     49
   3027.71   7.576    198
   3026.25   7.573    140
   3021.36   7.561     89
   3019.78   7.557    170
   3007.57   7.526    100
   3006.35   7.523     81
   3002.32   7.513     43
   3000.24   7.508    113
   2997.68   7.501     37
   2993.90   7.492     29
   2992.80   7.489     39
   2980.22   7.458    173
   2978.76   7.454    241
   2970.83   7.434    161
   1229.86   3.078   1000

in DMSO-d6