Product Name3-(TRIFLUOROMETHOXY)CINNAMIC ACID
CAS175675-63-5
Molecular FormulaC10H7F3O3
Molecular Weight232.16
InChI
InChIKey
Smiles
Mass
MS-KW-0584 3-(trifluoromethoxy)cinnamic acid C10H7F3O3 (Mass of molecular ion: 232)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.3 27.0 1.5 28.0 1.4 38.0 3.2 39.0 7.7 45.0 3.5 50.0 5.0 51.0 8.4 52.0 1.5 53.0 2.2 54.0 1.2 55.0 1.4 61.0 1.2 62.0 4.6 63.0 13.0 64.0 6.8 65.0 4.4 69.0 16.0 71.0 2.1 74.0 2.6 75.0 8.4 76.0 2.4 77.0 7.8 78.0 1.5 79.0 2.9 83.0 1.2 89.0 13.9 90.0 10.7 91.0 8.5 92.0 3.8 93.0 1.0 95.0 6.3 101.0 33.2 102.0 6.3 103.0 4.9 107.0 2.2 109.0 4.5 117.0 4.1 118.0 9.4 119.0 8.9 120.0 3.2 121.0 7.1 135.0 1.7 146.0 1.1 147.0 28.7 148.0 3.0 162.0 2.1 163.0 2.2 175.0 8.6 176.0 1.4 178.0 1.0 186.0 12.8 187.0 28.1 188.0 3.2 189.0 2.1 190.0 1.0 191.0 2.1 203.0 2.0 204.0 4.9 211.0 1.2 214.0 4.9 215.0 32.4 216.0 3.6 231.0 69.8 232.0 100.0 233.0 11.3 234.0 1.1
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C10H7F3O3 | 0.040 g : 0.5 ml CDCl3 |
trans-3-(trifluoromethoxy)cinnamic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
3109.83 7.779 770 3093.71 7.739 816 2994.24 7.490 151 2992.96 7.487 272 2991.68 7.484 195 2986.55 7.471 447 2985.27 7.468 732 2983.80 7.464 445 2980.51 7.456 626 2972.63 7.436 809 2964.94 7.417 337 2953.21 7.388 570 2908.70 7.276 324 2907.60 7.273 351 2906.50 7.271 300 2901.37 7.258 382 2899.72 7.254 288 2898.81 7.251 240 2595.65 6.493 1000 2579.71 6.453 923
in CDCl3
KBr disk
Nujol
3-(TRIFLUOROMETHOXY)CINNAMIC ACID(175675-63-5) IR2 Atlas of Related Products
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