三(4-溴苯)胺(4316-58-9)紅外圖譜(IR1)
分子式:C18H12Br3N
分子量: 482.01
InChI:InChI=1S/C18H12Br3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKey: ZRXVCYGHAUGABY-UHFFFAOYSA-N
Smiles:C1(N(C2=CC=C(Br)C=C2)C2=CC=C(Br)C=C2)=CC=C(Br)C=C1
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Mass
MS-IW-3624
4,4',4''-tribromotriphenylamine
C18H12Br3N (Mass of molecular ion: 479)
Source Temperature: 180 °C
Sample Temperature: 140 °C
Direct, 75 eV
39.0 1.5
50.0 4.9
51.0 1.8
62.0 1.0
63.0 5.6
64.0 2.3
74.0 1.7
75.0 8.9
76.0 9.9
77.0 1.4
89.0 1.2
90.0 1.8
102.0 1.0
106.5 1.6
107.5 2.4
113.0 1.0
114.0 1.3
115.0 1.5
119.5 3.6
120.0 3.7
120.5 30.8
121.0 54.1
121.5 10.5
122.0 1.0
138.0 1.5
139.0 9.8
140.0 9.8
141.0 1.3
152.0 1.0
155.0 3.9
157.0 3.9
160.5 6.9
161.0 1.7
161.5 6.7
162.0 1.4
164.0 2.7
165.0 3.3
166.0 19.6
167.0 3.0
215.0 1.3
219.0 4.6
221.0 4.4
239.0 2.0
240.0 5.3
241.0 21.7
242.0 8.8
243.0 1.6
245.0 1.4
247.0 1.2
319.0 1.6
320.0 5.4
321.0 23.1
322.0 9.5
323.0 21.4
324.0 4.2
399.0 3.8
400.0 2.5
401.0 8.2
402.0 4.4
403.0 5.5
404.0 2.3
405.0 1.0
479.0 34.3
480.0 7.3
481.0 100.0
482.0 20.3
483.0 98.0
484.0 19.6
485.0 32.9
486.0 6.4
400 MHz in CDCl3
parameter in CDCl3
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| 1H NMR |
399.65 MHz |
| C18 H12 Br3 N
|
0.048 g : 0.5 ml CDCl3
|
| 4,4',4''-tribromotriphenylamine
|
 |
Assign. Shift(ppm)
A 7.346
B 6.922
|
Hz ppm Int.
2943.97 7.367 106
2940.92 7.359 825
2938.72 7.354 282
2934.20 7.342 291
2932.01 7.337 1000
2928.96 7.329 114
2773.80 6.941 123
2770.75 6.933 894
2768.55 6.928 292
2763.92 6.916 272
2761.72 6.911 870
2758.67 6.903 95
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| 1H NMR |
300 MHz |
| C18 H12 Br3 N
|
in CDCl3
|
| 4,4',4''-tribromotriphenylamine
|
|
Parameter ppm Hz
D(A) 7.324
D(B) 6.896
J(A,A') 2.63
J(A,B) 8.84
J(A,B') 0.38
J(A',B) 0.38
J(A',B') 8.84
J(B,B') 2.75
ALLENDOERFER,R.D. ET AL. J.PHYS.CHEM. 72, 1217 (1968)
|
Hz ppm Int.
2205.05 7.350 91
2201.91 7.340 856
2199.69 7.332 304
2195.04 7.317 327
2192.80 7.309 999
2189.69 7.299 113
2076.32 6.921 113
2073.21 6.911 1000
2070.97 6.903 327
2066.31 6.888 304
2064.09 6.880 856
2060.95 6.870 91