9,10-二溴蒽(523-27-3)紅外圖譜(IR1)
InChI:InChI=1S/C14H8Br2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChIKey: BRUOAURMAFDGLP-UHFFFAOYSA-N
Smiles:C1=C2C(C(Br)=C3C(=C2Br)C=CC=C3)=CC=C1
-
Mass
MS-NW-2470
9,10-dibromoanthracene
C14H8Br2 (Mass of molecular ion: 334)
Source Temperature: 220 °C
Sample Temperature: 140 °C
Direct, 75 eV
17.0 3.7
18.0 18.3
28.0 4.4
39.0 1.6
44.0 3.5
50.0 2.5
51.0 2.1
61.0 1.9
61.5 1.0
62.0 4.1
63.0 3.0
73.0 1.5
74.0 8.4
74.5 1.9
75.0 12.5
75.5 1.2
76.0 2.1
85.0 1.8
86.0 3.5
87.0 15.5
87.5 9.8
88.0 47.3
88.5 7.1
98.0 5.1
99.0 4.1
100.0 1.5
110.0 1.9
111.0 2.0
122.0 2.6
123.0 2.0
124.0 1.1
125.0 1.2
126.0 2.7
127.0 3.0
127.5 2.0
128.0 3.5
128.5 1.7
149.0 5.1
150.0 12.1
151.0 2.2
167.0 6.2
167.5 1.1
168.0 11.8
168.5 1.8
169.0 5.7
173.0 1.0
174.0 15.3
175.0 16.9
176.0 100.0
177.0 15.6
178.0 1.5
254.0 2.1
255.0 7.4
256.0 4.1
257.0 7.6
258.0 2.1
334.0 26.4
335.0 4.3
336.0 54.6
337.0 9.1
338.0 27.7
339.0 4.0
400 MHz at 50C
parameter in CDCl3
-
| 1H NMR |
399.65 MHz |
| C14 H8 Br2
|
0.030 g : 0.5 ml CDCl3 at 50 C
|
| 9,10-dibromoanthracene
|
 |
Assign. Shift(ppm)
A 8.559
B 7.594
|
Hz ppm Int.
3429.93 8.583 90
3428.71 8.580 124
3425.90 8.573 814
3422.73 8.565 620
3419.07 8.556 610
3415.89 8.548 886
3413.09 8.541 121
3411.99 8.538 95
3044.07 7.617 104
3042.85 7.614 140
3040.16 7.608 1000
3036.87 7.599 682
3033.20 7.590 705
3030.03 7.582 984
3027.34 7.575 122
3026.12 7.572 93
-
| 1H NMR |
300 MHz |
| C14 H8 Br2
|
in CDCl3
|
| 9,10-dibromoanthracene
|
|
Parameter ppm Hz
D(A) 8.59
D(B) 7.63
J(A,A') 0.3
J(A,B) 9.2
J(A,B') 1.1
J(A',B) 1.1
J(A',B') 9.2
J(B,B') 6.3
SHRPLESS,N.E. ET AL. ORG.MAGN.RESON. 6, 115 (1974)
|
Hz ppm Int.
2585.16 8.617 141
2582.22 8.607 932
2579.06 8.597 769
2575.10 8.584 769
2571.94 8.573 1000
2568.93 8.563 164
2297.08 7.657 166
2294.08 7.647 1000
2290.91 7.636 773
2286.95 7.623 771
2283.78 7.613 933
2280.84 7.603 142