o-fluorocinnamic acid (18944-77-9) Raman
Product Nameo-fluorocinnamic acid
CAS18944-77-9
Molecular FormulaC9H7FO2
Molecular Weight166.15
InChIInChI=1S/C9H7FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
InChIKey IOUDZAFBPDDAMK-AATRIKPKSA-N
SmilesC(O)(=O)/C=C/C1=CC=CC=C1F
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MassMS-NW-7275 trans-2-fluorocinnamic acid C9H7FO2 (Mass of molecular ion: 166)
Source Temperature: 220 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.0 28.0 2.5 31.0 1.7 37.0 1.5 38.0 2.1 39.0 4.7 43.0 1.8 44.0 2.7 45.0 5.8 49.0 1.9 50.0 11.6 50.5 6.0 51.0 16.3 52.0 2.5 53.0 1.2 54.0 1.1 55.0 2.4 57.0 4.2 59.0 1.4 60.0 9.9 60.5 6.9 61.0 3.2 62.0 4.1 63.0 7.2 64.0 1.4 68.0 4.7 69.0 8.7 70.0 6.2 71.0 2.3 73.0 2.8 74.0 11.4 74.5 4.8 75.0 35.9 76.0 4.9 77.0 2.9 79.0 1.2 81.0 4.0 83.0 6.9 86.0 1.3 87.0 1.9 89.0 4.2 90.0 9.0 91.0 3.5 92.0 2.0 93.0 3.1 94.0 8.8 95.0 9.7 96.0 6.6 97.0 4.0 98.0 2.5 99.0 3.6 100.0 2.5 101.0 81.3 102.0 9.1 103.0 3.5 105.0 1.6 107.0 1.6 109.0 23.7 110.0 3.1 112.0 1.0 118.0 92.3 119.0 9.9 120.0 27.8 121.0 49.8 122.0 5.5 123.0 4.6 125.0 5.9 137.0 2.5 138.0 4.5 146.0 36.1 147.0 25.6 148.0 4.2 149.0 40.1 150.0 4.3 165.0 24.1 166.0 100.0 167.0 10.4 168.0 1.1 194.0 1.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H7 F O2 0.042 g : 0.5 ml DMSO-d6 trans-2-fluorocinnamic acid 
Assign. Shift(ppm)
A 12.64 B 7.859 C 7.702 D 7.496 E 7.30 G 7.28 J 6.634 J(C,J)=16.3HZ J(D,F-19)=5.5HZ
Hz ppm Int.5050.81 12.639 161 3149.55 7.881 175 3147.90 7.877 204 3141.85 7.862 327 3140.21 7.858 394 3133.61 7.841 175 3132.15 7.838 201 3086.91 7.725 642 3070.60 7.684 690 3007.96 7.527 98 3006.31 7.523 117 3002.47 7.513 115 3000.82 7.509 234 2999.53 7.506 205 2998.99 7.505 213 2998.07 7.502 188 2994.59 7.494 190 2993.49 7.491 221 2992.39 7.488 287 2990.74 7.484 180 2986.90 7.474 143 2985.25 7.470 144 2930.11 7.332 236 2929.02 7.329 307 2921.69 7.311 226 2920.77 7.309 283 2918.57 7.303 706 2910.70 7.284 778 2903.56 7.266 232 2902.82 7.264 231 2902.46 7.263 221 2659.39 6.655 1000 2643.09 6.614 919
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
