二苯并呋喃(132-64-9)核磁圖(13CNMR)
InChI:InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKey: TXCDCPKCNAJMEE-UHFFFAOYSA-N
Smiles:O1C2=CC=CC=C2C2=CC=CC=C12
-
Mass
MS-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
-
| 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