1,2-二溴苯(583-53-9)核磁图(13CNMR)
InChI:InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey: WQONPSCCEXUXTQ-UHFFFAOYSA-N
Smiles:C1(Br)=CC=CC=C1Br
-
Mass
MS-NW-0824
o-dibromobenzene
C6H4Br2 (Mass of molecular ion: 234)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
37.0 3.7
38.0 6.2
49.0 4.0
50.0 25.5
51.0 3.5
73.0 3.2
74.0 14.9
75.0 33.9
76.0 23.4
77.0 3.6
79.0 1.8
81.0 2.1
117.0 3.8
118.0 7.1
119.0 3.4
128.0 1.3
129.0 1.4
130.0 1.3
131.0 1.3
155.0 39.0
156.0 3.3
157.0 38.5
158.0 2.5
190.0 1.0
192.0 1.3
234.0 50.9
235.0 3.7
236.0 100.0
237.0 6.7
238.0 49.0
239.0 3.3
90 MHz in CDCl3
parameter in CDCl3
-
| 1H NMR |
89.56 MHz |
| C6 H4 Br2
|
0.04 ml : 0.5 ml CDCl3
|
| o-dibromobenzene
|
 |
Assign. Shift(ppm)
A 7.60
B 7.16
|
Hz ppm Int.
690.50 7.710 64
689.75 7.702 66
686.25 7.663 681
682.75 7.624 932
680.63 7.600 547
680.13 7.595 710
678.63 7.578 46
678.19 7.573 45
676.88 7.558 1000
673.00 7.515 223
648.38 7.240 231
644.56 7.197 991
642.88 7.179 54
641.25 7.161 602
640.81 7.156 541
638.63 7.131 902
635.13 7.092 660
631.69 7.054 65
630.94 7.045 59
-
| 1H NMR |
300 MHz |
| C6 H4 Br2
|
10 wt% in CCl4
|
| o-dibromobenzene
|
|
Parameter ppm Hz
D(A) 7.544
D(B) 7.079
J(A,A') 0.30
J(A,B) 7.97
J(A,B') 1.50
J(A',B) 1.50
J(A',B') 7.97
J(B,B') 7.46
CASTELLANO,S. & KOSTELNIK,R. TETRAHEDRON LETT. 1967, 5211
|
Hz ppm Int.
2272.21 7.574 74
2271.72 7.572 81
2268.05 7.560 873
2264.53 7.548 836
2262.12 7.540 826
2258.59 7.529 998
2254.77 7.516 112
2132.13 7.107 111
2128.32 7.094 1000
2124.79 7.083 826
2122.38 7.075 836
2118.85 7.063 875
2115.18 7.051 81
2114.70 7.049 75