4-FLUOROCINNAMIC ACID(14290-86-9) Raman
Product Name4-FLUOROCINNAMIC ACID
CAS14290-86-9
Molecular FormulaC9H7FO2
Molecular Weight166.15
InChIInChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
InChIKey ISMMYAZSUSYVQG-ZZXKWVIFSA-N
SmilesC(O)(=O)/C=C/C1=CC=C(F)C=C1
-
MassMS-NW-8183 trans-4-fluorocinnamic acid C9H7FO2 (Mass of molecular ion: 166)
Source Temperature: 160 °C Sample Temperature: 90 °C Direct, 75 eV
17.0 1.5 18.0 7.9 28.0 4.0 39.0 1.7 45.0 2.4 50.0 4.2 50.5 1.3 51.0 5.7 55.0 1.0 57.0 2.2 60.0 3.4 60.5 2.0 61.0 1.0 62.0 1.4 63.0 2.7 68.0 1.3 69.0 4.3 70.0 3.1 71.0 1.0 73.0 1.0 74.0 4.1 74.5 1.4 75.0 16.5 76.0 1.7 81.0 1.4 83.0 3.8 93.0 1.2 94.0 4.3 95.0 9.3 96.0 4.0 97.0 2.6 98.0 1.0 99.0 1.8 100.0 1.7 101.0 37.6 102.0 3.6 109.0 16.2 110.0 2.1 119.0 1.0 120.0 24.0 121.0 37.0 122.0 3.5 123.0 2.4 125.0 3.9 137.0 2.4 138.0 7.2 147.0 1.7 148.0 5.9 149.0 37.0 150.0 3.7 165.0 46.1 166.0 100.0 167.0 10.1
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C9 H7 F O2 0.051 g : 0.5 ml DMSO-d6 trans-4-fluorocinnamic acid 
Assign. Shift(ppm)
A 12.5 B 7.787 C 7.640 D 7.266 E 6.536
Hz ppm Int.4976.56 12.453 78 3122.31 7.813 77 3119.38 7.806 478 3117.43 7.801 228 3113.77 7.792 526 3110.60 7.784 548 3107.18 7.775 216 3104.98 7.770 489 3102.29 7.763 79 3061.52 7.661 545 3045.65 7.621 581 2915.77 7.296 76 2912.84 7.289 537 2910.64 7.283 215 2906.01 7.272 223 2903.81 7.266 1000 2896.97 7.249 175 2895.02 7.244 510 2892.09 7.237 73 2619.87 6.556 663 2603.76 6.516 603
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
