4-溴氯苯(106-39-8)Raman光谱
InChI:InChI=1S/C6H4BrCl/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKey: NHDODQWIKUYWMW-UHFFFAOYSA-N
Smiles:C1(Br)=CC=C(Cl)C=C1
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Mass
MS-NW-2079
p-bromochlorobenzene
C6H4BrCl (Mass of molecular ion: 190)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
36.0 1.0
37.0 4.4
38.0 5.4
49.0 3.4
50.0 22.2
51.0 6.1
55.0 2.8
56.0 1.0
61.0 1.6
73.0 4.1
74.0 15.4
75.0 42.6
76.0 8.9
77.0 1.4
78.0 1.3
84.0 1.7
85.0 3.3
87.0 1.0
95.0 3.5
96.0 4.1
97.0 1.0
110.0 1.5
111.0 71.1
112.0 5.1
113.0 22.7
114.0 1.5
155.0 1.3
157.0 1.2
190.0 75.3
191.0 5.3
192.0 100.0
193.0 6.6
194.0 23.9
195.0 1.7
parameter in CDCl3
90 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C6 H4 Br Cl
|
10 mol% in TMS
|
| p-bromochlorobenzene
|
 |
Parameter ppm Hz
D(A) 7.284
D(B) 7.071
J(A,A') 2.47
J(A,B) 8.54
J(A,B') 0.33
J(A',B) 0.33
J(A',B') 8.54
J(B,B') 2.49
CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)
|
Hz ppm Int.
2192.73 7.309 81
2189.87 7.300 745
2187.82 7.293 267
2183.19 7.277 308
2181.11 7.270 1000
2178.29 7.261 122
2128.21 7.094 122
2125.39 7.085 1000
2123.31 7.078 308
2118.68 7.062 267
2116.63 7.055 745
2113.78 7.046 81
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| 1H NMR |
89.56 MHz |
| C6 H4 Br Cl
|
0.047 g : 0.5 ml CDCl3
|
| p-bromochlorobenzene
|
|
Assign. Shift(ppm)
A 7.39
B 7.21
|
Hz ppm Int.
670.88 7.491 43
668.50 7.465 506
668.00 7.459 241
666.19 7.439 183
661.88 7.391 251
659.56 7.365 1000
657.13 7.338 197
656.19 7.327 29
650.31 7.262 187
647.94 7.235 989
645.63 7.209 258
641.31 7.161 185
639.50 7.141 324
639.00 7.135 457
636.56 7.108 44