Dibenzofuran(132-64-9) IR1
Product NameDibenzofuran
CAS132-64-9
Molecular FormulaC12H8O
Molecular Weight168.19
InChIInChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKey TXCDCPKCNAJMEE-UHFFFAOYSA-N
SmilesO1C2=CC=CC=C2C2=CC=CC=C12
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MassMS-NW-0354 dibenzofuran C12H8O (Mass of molecular ion: 168)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
39.0 1.7 51.0 1.2 62.0 1.5 63.0 3.1 69.0 2.6 69.5 4.5 70.0 2.2 74.0 1.4 75.0 1.5 84.0 9.5 84.5 1.1 86.0 1.2 87.0 1.7 88.0 1.1 89.0 1.7 113.0 2.3 114.0 2.3 139.0 22.0 140.0 3.7 168.0 100.0 169.0 13.1 170.0 1.0
parameter in acetone
400 MHz in CDCl3
parameter in CCl4
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1H NMR 300 MHz C12 H8 O 0.050 g : 1 ml acetone dibenzofuran 
Parameter ppm Hz
D(A) 8.070 D(B) 7.375 D(C) 7.506 D(D) 7.610 J(A,B) 7.87 J(A,C) 1.36 J(A,D) 0.57 J(B,C) 7.56 J(B,D) 0.72 J(C,D) 8.42 BLACK,P.J. & HEFFERNAN,M.L. AUST.J.CHEM. 18, 353 (1965)
Hz ppm Int.2425.90 8.086 506 2425.42 8.085 550 2424.56 8.082 551 2424.04 8.080 512 2417.64 8.059 597 2416.74 8.056 596 2416.26 8.054 557 2287.71 7.626 581 2279.38 7.598 1000 2260.20 7.534 434 2258.81 7.529 441 2252.74 7.509 621 2251.38 7.505 662 2250.51 7.502 318 2244.41 7.481 388 2242.99 7.477 369 2220.12 7.400 539 2219.25 7.397 534 2212.34 7.374 750 2211.67 7.372 721 2204.86 7.350 351 2204.02 7.347 341
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1H NMR 399.65 MHz C12 H8 O 4.1 mg : 0.5 ml CDCl3 dibenzofuran Assign. Shift(ppm)
A 7.958 B 7.574 C 7.458 D 7.346
Hz ppm Int.3185.30 7.971 651 3184.57 7.969 685 3183.96 7.967 709 3183.23 7.966 682 3177.61 7.951 702 3177.00 7.950 723 3176.27 7.948 751 3175.54 7.946 701 3173.58 7.941 31 3032.59 7.589 594 3031.86 7.587 719 3030.88 7.584 589 3024.29 7.568 801 3023.68 7.566 983 3023.32 7.565 1000 3022.71 7.564 760 2988.89 7.479 569 2987.55 7.476 608 2981.69 7.461 809 2980.35 7.458 816 2979.37 7.455 449 2974.98 7.444 34 2973.39 7.440 591 2972.05 7.437 585 2943.12 7.365 797 2942.14 7.362 730 2939.94 7.357 36 2938.84 7.354 35 2935.79 7.346 750 2935.42 7.345 882 2934.81 7.344 745 2934.45 7.343 825 2928.10 7.327 547 2927.12 7.325 547
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1H NMR 300 MHz C12 H8 O 0.053 g : 1 ml CCl4 dibenzofuran Parameter ppm Hz
D(A) 7.845 D(B) 7.235 D(C) 7.354 D(D) 7.483 J(A,B) 7.63 J(A,C) 1.31 J(A,D) 0.61 J(B,C) 7.33 J(B,D) 0.85 J(C,D) 8.48 BLACK,P.J. & HEFFERNAN,M.L. AUST.J.CHEM. 18, 353 (1965)
Hz ppm Int.2358.29 7.861 551 2357.75 7.859 610 2357.00 7.857 610 2356.41 7.855 555 2350.71 7.836 608 2350.21 7.834 666 2349.41 7.831 664 2348.88 7.830 609 2249.49 7.498 639 2241.13 7.470 1000 2214.62 7.382 453 2213.28 7.378 463 2207.36 7.358 668 2206.06 7.354 811 2204.89 7.350 334 2198.97 7.330 459 2197.59 7.325 434 2177.93 7.260 595 2176.96 7.257 591 2170.43 7.235 825 2169.55 7.232 814 2163.10 7.210 376 2162.16 7.207 362
in CDCl3
KBr disc
nujol mull
