2,4-DIFLUOROCINNAMIC ACID(94977-52-3) IR2
Product Name2,4-DIFLUOROCINNAMIC ACID
CAS94977-52-3
Molecular FormulaC9H6F2O2
Molecular Weight184.14
InChIInChI=1S/C9H6F2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChIKey PQDXPFJQTKGTFP-DUXPYHPUSA-N
SmilesC(O)(=O)/C=C/C1=CC=C(F)C=C1F
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MassMS-IW-7439 trans-2,4-difluorocinnamic acid C9H6F2O2 (Mass of molecular ion: 184)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.0 28.0 1.0 31.0 1.0 45.0 1.7 50.0 2.1 51.0 1.4 54.0 1.4 57.0 2.0 59.5 3.6 61.0 1.3 62.0 2.5 63.0 6.4 64.0 1.2 68.0 1.9 69.0 7.3 69.5 4.8 70.0 1.4 74.0 3.1 75.0 2.8 78.0 3.7 81.0 2.5 83.5 3.2 86.0 1.0 87.0 3.5 88.0 2.6 92.0 4.3 93.0 4.0 94.0 1.9 98.0 1.1 99.0 11.4 100.0 1.4 101.0 1.6 107.0 2.2 108.0 3.7 109.0 1.9 112.0 2.0 113.0 2.3 114.0 2.5 115.0 1.6 118.0 1.9 119.0 43.9 120.0 4.9 121.0 1.4 127.0 11.8 128.0 1.1 136.0 44.6 137.0 4.8 138.0 18.7 139.0 44.4 140.0 4.3 141.0 2.6 143.0 4.2 156.0 2.4 164.0 14.5 165.0 21.0 166.0 3.3 167.0 38.5 168.0 3.8 183.0 7.8 184.0 100.0 185.0 10.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H6 F2 O2 0.040 g : 0.5 ml DMSO-d6 trans-2,4-difluorocinnamic acid 
Assign. Shift(ppm)
A 12.6 B 7.934 C 7.629 D 7.341 E 7.171 G 6.587 J(C,G)=16.0HZ
Hz ppm Int.3183.25 7.966 216 3176.63 7.949 257 3174.49 7.944 453 3167.87 7.927 455 3165.73 7.922 274 3159.11 7.905 229 3057.39 7.651 873 3041.37 7.611 935 2945.42 7.371 278 2942.86 7.364 293 2936.23 7.348 311 2933.88 7.342 450 2931.75 7.336 338 2925.12 7.320 289 2922.56 7.313 298 2875.97 7.197 181 2875.33 7.195 202 2872.98 7.189 194 2867.21 7.175 368 2866.79 7.174 368 2864.65 7.168 358 2858.88 7.154 179 2858.24 7.152 200 2855.89 7.146 188 2640.71 6.608 1000 2624.47 6.567 936
in DMSO-d6
KBr disc
nujol mull
