2-(4'-叔丁苯基)-5-(4'-聯(lián)苯基)-1,3,4-惡二唑(15082-28-7)Raman光譜
分子式:C24H22N2O
分子量: 354.44
InChI:InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3
InChIKey: XZCJVWCMJYNSQO-UHFFFAOYSA-N
Smiles:O1C(C2=CC=C(C(C)(C)C)C=C2)=NN=C1C1=CC=C(C2=CC=CC=C2)C=C1
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Mass
MS-NW-7062
2-(4-biphenylyl)-5-(p-tert-butylphenyl)-1,3,4-oxadiazole
C24H22N2O (Mass of molecular ion: 354)
Source Temperature: 200 °C
Sample Temperature: 140 °C
Direct, 75 eV
18.0 1.9
39.0 2.5
41.0 4.8
51.0 1.6
57.0 4.4
63.0 1.9
65.0 1.0
75.0 1.2
76.0 1.9
77.0 4.1
78.0 1.1
89.0 1.6
90.0 1.4
91.0 3.7
102.0 2.1
103.0 1.5
104.0 1.2
105.0 2.0
115.0 4.4
116.0 4.0
117.0 2.5
118.0 4.8
119.0 2.2
127.0 1.9
128.0 1.4
129.0 1.0
132.0 1.4
139.0 1.0
144.0 4.7
145.0 2.7
146.0 3.5
151.0 4.0
152.0 13.9
153.0 11.2
154.0 1.4
155.5 10.9
156.0 2.8
159.0 1.4
161.0 16.0
162.0 2.1
165.0 2.0
166.0 1.1
169.5 9.3
170.0 2.5
177.0 1.7
178.0 2.2
179.0 8.7
180.0 2.0
181.0 24.4
182.0 3.6
239.0 1.2
241.0 4.9
242.0 3.2
243.0 1.0
253.0 1.5
254.0 1.6
255.0 2.6
267.0 1.6
268.0 2.8
283.0 9.0
284.0 2.3
296.0 1.2
298.0 1.9
311.0 1.7
339.0 56.4
340.0 14.9
341.0 2.2
354.0 100.0
355.0 27.0
356.0 4.0
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C24 H22 N2 O
|
0.050 g : 0.5 ml CDCl3
|
| 2-(4-biphenylyl)-5-(p-tert-butylphenyl)-1,3,4-oxadiazole
|
 |
Assign. Shift(ppm)
A 8.190
B 8.072
C 7.736
D 7.635
E 7.546
F 7.467
G 7.394
J 1.367
|
Hz ppm Int.
3277.59 8.202 71
3269.04 8.180 78
3230.71 8.084 68
3222.17 8.063 75
3096.07 7.747 87
3087.52 7.726 79
3057.13 7.650 46
3055.66 7.646 63
3049.93 7.632 32
3048.71 7.629 67
3047.61 7.626 57
3020.02 7.557 84
3011.47 7.536 78
2992.07 7.487 37
2984.86 7.469 76
2983.40 7.466 37
2977.17 7.450 45
2960.69 7.409 33
2953.25 7.390 37
546.63 1.368 1000
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| 1H NMR |
89.56 MHz |
| C24 H22 N2 O
|
0.040 g : 0.5 ml CDCl3
|
| 2-(4-biphenylyl)-5-(p-tert-butylphenyl)-1,3,4-oxadiazole
|
|
Assign. Shift(ppm)
A 8.19
B 8.07
C 7.75
D 7.75 to 7.33
E 1.373
|
Hz ppm Int.
738.81 8.250 60
732.13 8.175 33
730.25 8.154 93
728.00 8.129 68
719.31 8.032 82
697.75 7.791 90
690.75 7.713 43
689.06 7.694 66
682.50 7.621 65
680.44 7.598 134
678.31 7.574 40
675.00 7.537 35
673.44 7.520 41
671.50 7.498 88
670.38 7.486 59
668.06 7.460 40
665.13 7.427 62
663.00 7.403 56
123.06 1.375 1000