2,5-雙(5-叔丁基-2-苯并惡唑基)噻吩(7128-64-5)質(zhì)譜(MS)
分子式:C26H26N2O2S
分子量: 430.56
InChI:InChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3
InChIKey: AIXZBGVLNVRQSS-UHFFFAOYSA-N
Smiles:C1(C2=NC3=CC(C(C)(C)C)=CC=C3O2)SC(C2=NC3=CC(C(C)(C)C)=CC=C3O2)=CC=1
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Mass
MS-NW-7085
2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene
C26H26N2O2S (Mass of molecular ion: 430)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Direct, 75 eV
27.0 2.2
29.0 1.5
39.0 3.2
41.0 7.6
51.0 2.7
53.0 1.8
55.0 1.6
57.0 1.0
63.0 3.0
64.0 1.0
65.0 3.7
77.0 14.2
78.0 2.4
79.0 9.4
89.0 3.7
90.0 1.2
91.0 2.3
103.0 6.1
104.0 1.6
105.0 21.0
106.0 2.1
115.0 1.1
117.0 1.4
131.0 1.0
133.0 13.8
134.0 1.7
172.0 7.7
172.5 2.0
173.0 1.0
186.0 5.6
186.5 1.5
200.0 14.1
200.5 4.3
201.0 1.5
207.5 1.4
226.0 1.7
227.0 1.4
239.0 4.6
240.0 1.7
266.0 1.0
267.0 8.2
268.0 1.8
284.0 1.2
318.0 1.0
331.0 2.8
357.0 1.3
358.0 1.5
359.0 5.8
360.0 1.6
371.0 2.0
372.0 1.3
374.0 1.0
375.0 1.5
385.0 1.3
387.0 6.3
388.0 1.8
399.0 3.7
400.0 1.7
401.0 1.3
415.0 73.3
416.0 21.2
417.0 7.0
418.0 1.6
429.0 1.4
430.0 100.0
431.0 30.8
432.0 9.5
433.0 2.1
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C26 H26 N2 O2 S
|
0.048 g : 0.5 ml CDCl3
|
| 2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene
|
 |
Assign. Shift(ppm)
A 7.873
B 7.79
C 7.46
D 7.41
E 1.392
|
Hz ppm Int.
705.13 7.874 139
698.88 7.804 41
697.81 7.792 59
696.38 7.776 37
666.69 7.445 118
665.13 7.427 61
124.69 1.393 1000
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| 1H NMR |
399.65 MHz |
| C26 H26 N2 O2 S
|
0.038 g : 0.5 ml CDCl3
|
| 2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene
|
|
Assign. Shift(ppm)
A 7.877
B 7.793
C 7.464
D 7.426
E 1.393
|
Hz ppm Int.
3148.32 7.878 223
3115.72 7.797 68
3115.23 7.795 77
3113.89 7.792 75
3113.40 7.791 72
2989.62 7.481 40
2989.14 7.480 40
2981.08 7.460 100
2980.47 7.458 98
2971.19 7.435 79
2969.36 7.430 73
2962.52 7.413 32
2960.69 7.409 32
556.76 1.394 1000