N-METHYLANILINIUM TRIFLUOROACETATE(29885-95-8) 1H NMR
Product NameN-METHYLANILINIUM TRIFLUOROACETATE
CAS29885-95-8
Molecular FormulaC9H10F3NO2
Molecular Weight221.18
InChIInChI=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
SmilesC(F)(F)(F)C(=O)O.C1(NC)=CC=CC=C1
400 MHz in DMSO-d6
400 MHz in D2O
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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
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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
KBr disc
nujol mull
