N,N'-二苯基硫脲(102-08-9)紅外圖譜(IR2)
分子式:C13H12N2S
分子量: 228.31
InChI:InChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChIKey: FCSHMCFRCYZTRQ-UHFFFAOYSA-N
Smiles:N(C1=CC=CC=C1)C(NC1=CC=CC=C1)=S
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Mass
MS-NW-8144
1,3-diphenylthiourea
C13H12N2S (Mass of molecular ion: 228)
Source Temperature: 170 °C
Sample Temperature: 120 °C
Direct, 75 eV
18.0 4.3
27.0 1.7
28.0 3.3
32.0 1.3
34.0 2.4
37.0 1.2
38.0 2.6
39.0 8.3
40.0 2.1
41.0 1.9
46.5 1.8
50.0 6.3
51.0 22.5
52.0 3.3
54.0 1.6
62.0 1.2
63.0 3.9
64.0 4.3
65.0 13.0
66.0 18.5
67.0 2.0
67.5 2.3
74.0 1.8
75.0 1.8
76.0 3.3
77.0 51.4
78.0 4.9
90.0 1.1
91.0 7.6
92.0 9.8
93.0 100.0
94.0 7.0
97.0 1.0
103.0 1.7
104.0 1.5
108.0 1.7
109.0 5.5
110.0 4.1
114.0 1.7
118.0 2.6
119.0 5.1
124.0 1.0
135.0 36.9
136.0 9.4
137.0 2.3
193.0 1.2
194.0 19.1
195.0 5.8
227.0 4.1
228.0 21.6
229.0 3.5
230.0 1.2
400 MHz in DMSO-d6
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C13 H12 N2 S
|
0.036 g : 0.5 ml DMSO-d6
|
| 1,3-diphenylthiourea
|
 |
Assign. Shift(ppm)
A 9.75
B 7.496
C 7.326
D 7.122
|
Hz ppm Int.
3895.77 9.748 586
3001.18 7.510 655
2999.90 7.507 840
2992.57 7.488 974
2991.66 7.486 940
2937.81 7.351 155
2935.98 7.347 704
2933.96 7.342 293
2928.47 7.328 1000
2921.87 7.312 309
2920.04 7.307 704
2918.03 7.302 167
2854.47 7.143 210
2853.37 7.140 376
2852.27 7.137 252
2846.04 7.122 606
2839.81 7.106 179
2838.71 7.103 275
2837.43 7.100 175
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| 1H NMR |
89.56 MHz |
| C13 H12 N2 S
|
0.039 g : 0.5 ml CDCl3
|
| 1,3-diphenylthiourea
|
|
Assign. Shift(ppm)
A 8.2
B 7.43 to 7.22
|
Hz ppm Int.
733.00 8.185 53
665.88 7.436 28
663.00 7.403 176
660.88 7.380 144
659.13 7.360 1000
656.56 7.331 123
655.38 7.318 133
653.00 7.292 86
651.56 7.276 51
650.19 7.260 41
649.38 7.251 63
648.38 7.240 23
646.94 7.224 39