Product Name4,4,4-TRIFLUORO-1-(2-FURYL)-1,3-BUTANEDIONE
CAS326-90-9
Molecular FormulaC8H5F3O3
Molecular Weight206.12
InChIInChI=1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
InChIKey OWLPCALGCHDBCN-UHFFFAOYSA-N
SmilesC(C1=CC=CO1)(=O)CC(=O)C(F)(F)F
Mass
MS-NW-2207 1,1,1-trifluoro-4-(2-furyl)-4-hydroxy-3-buten-2-one C8H5F3O3 (Mass of molecular ion: 206)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.0 18.0 1.7 26.0 1.3 27.0 7.3 28.0 2.8 29.0 4.4 31.0 1.1 37.0 3.4 38.0 8.1 39.0 27.3 40.0 2.2 41.0 2.9 42.0 3.7 50.0 2.7 51.0 5.1 52.0 2.4 53.0 10.8 54.0 1.0 55.0 3.0 62.0 1.3 63.0 3.0 64.0 1.1 65.0 5.1 66.0 1.4 67.0 3.1 68.0 1.7 68.5 4.4 69.0 73.9 70.0 2.7 79.0 1.4 81.0 4.2 91.0 1.4 92.0 1.3 93.0 1.2 95.0 100.0 96.0 5.5 108.0 1.3 110.0 1.0 137.0 88.8 138.0 6.6 139.0 1.7 178.0 1.7 206.0 45.4 207.0 4.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C8 H5 F3 O3 | 0.05 ml : 0.5 ml CDCl3 |
1,1,1-trifluoro-4-(2-furyl)-4-hydroxy-3-buten-2-one |
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Assign. Shift(ppm) |
Hz ppm Int.
689.01 7.694 359 688.24 7.685 390 687.36 7.675 385 686.59 7.667 358 661.96 7.392 34 659.44 7.364 328 658.67 7.355 311 655.81 7.323 365 655.04 7.314 336 652.51 7.286 48 596.78 6.664 319 595.02 6.644 323 593.15 6.623 306 591.39 6.604 294 589.85 6.587 52 581.17 6.490 1000
in CDCl3
CCl4 solution
liquid film
4,4,4-TRIFLUORO-1-(2-FURYL)-1,3-BUTANEDIONE(326-90-9) IR2 Atlas of Related Products
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