3-(TRIFLUOROMETHYL)ACETANILIDE(351-36-0) Raman
Product Name3-(TRIFLUOROMETHYL)ACETANILIDE
CAS351-36-0
Molecular FormulaC9H8F3NO
Molecular Weight203.16
InChIInChI=1S/C9H8F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKey HNIPNANLYHXYDE-UHFFFAOYSA-N
SmilesC(NC1=CC=CC(C(F)(F)F)=C1)(=O)C
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MassMS-NW-7227 3'-(trifluoromethyl)acetanilide C9H8F3NO (Mass of molecular ion: 203)
Source Temperature: 210 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.9 38.0 1.1 39.0 1.7 42.0 1.1 43.0 42.8 44.0 1.2 50.0 1.1 57.0 1.0 62.0 1.0 63.0 3.2 64.0 1.7 65.0 2.1 75.0 1.8 83.0 1.8 91.0 1.3 95.0 1.5 111.0 3.9 113.0 2.3 114.0 6.7 133.0 2.2 140.0 2.1 141.0 2.1 142.0 5.0 145.0 3.0 160.0 3.1 161.0 100.0 162.0 8.7 184.0 4.8 203.0 18.3 204.0 2.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C9 H8 F3 N O 0.030 g : 0.5 ml CDCl3 3'-(trifluoromethyl)acetanilide 
Assign. Shift(ppm)
A 8.30 B 7.829 C 7.700 D 7.392 E 7.340 F 2.193
Hz ppm Int.3315.19 8.296 48 3128.91 7.830 134 3081.79 7.712 68 3073.85 7.692 76 2963.26 7.415 44 2955.44 7.396 106 2947.63 7.376 76 2936.16 7.347 108 2928.47 7.328 56 876.83 2.194 1000
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1H NMR 89.56 MHz C9 H8 F3 N O 0.040 g : 0.5 ml CDCl3 3'-(trifluoromethyl)acetanilide Assign. Shift(ppm)
A 8.2 B 7.81 C 7.68 D 7.50 to 7.290 E 2.186
Hz ppm Int.699.25 7.808 101 695.50 7.766 38 692.19 7.729 44 690.69 7.713 35 690.25 7.708 36 689.69 7.701 34 689.13 7.695 34 688.75 7.691 33 688.19 7.685 33 686.19 7.662 54 684.88 7.648 37 684.06 7.639 37 663.50 7.409 90 660.81 7.379 76 660.50 7.375 77 659.50 7.364 74 657.44 7.341 162 656.31 7.329 140 195.81 2.187 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
