2-(Trifluoromethyl)acrylic acid(381-98-6) 13C NMR
Product Name2-(Trifluoromethyl)acrylic acid
CAS381-98-6
Molecular FormulaC4H3F3O2
Molecular Weight140.06
InChIInChI=1S/C4H3F3O2/c1-2(3(8)9)4(5,6)7/h1H2,(H,8,9)
InChIKey VLSRKCIBHNJFHA-UHFFFAOYSA-N
SmilesC(O)(=O)C(C(F)(F)F)=C
-
MassMS-IW-6991 2-(trifluoromethyl)acrylic acid C4H3F3O2 (Mass of molecular ion: 140)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
25.0 2.6 26.0 8.9 27.0 8.6 28.0 4.8 29.0 2.7 31.0 12.2 37.0 1.0 42.0 2.6 43.0 1.1 44.0 4.5 45.0 54.4 46.0 5.9 50.0 2.6 51.0 5.3 52.0 1.9 53.0 10.9 54.0 2.7 55.0 1.8 56.0 3.5 57.0 3.6 64.0 1.9 67.0 2.2 69.0 75.4 71.0 3.2 73.0 10.6 74.0 1.8 75.0 49.8 76.0 70.9 77.0 3.5 91.0 3.3 92.0 2.7 93.0 1.5 94.0 1.7 95.0 44.2 96.0 1.9 100.0 6.6 101.0 37.3 102.0 1.8 112.0 1.3 120.0 28.4 121.0 1.9 123.0 71.5 124.0 3.3 139.0 2.2 140.0 100.0 141.0 5.7
400 MHz in CDCl3
-
1H NMR 399.65 MHz C4 H3 F3 O2 0.042 g : 0.5 ml CDCl3 2-(trifluoromethyl)acrylic acid 
Assign. Shift(ppm)
A 11.2 B 6.883 C 6.600
Hz ppm Int.4485.20 11.223 64 2753.36 6.890 348 2751.71 6.886 931 2749.88 6.881 931 2748.23 6.877 345 2745.12 6.869 22 2639.61 6.605 407 2638.51 6.603 1000 2637.23 6.599 975 2635.95 6.596 380 2632.65 6.588 25
in CDCl3
KBr disc
nujol mull
