1,1-二苯基硫脲(3898-08-6)核磁图(13CNMR)
分子式:C13H12N2S
分子量: 228.31
InChI:InChI=1S/C13H12N2S/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,14,16)
InChIKey: FPZXQVCYHDMIIA-UHFFFAOYSA-N
Smiles:N(C1=CC=CC=C1)(C1=CC=CC=C1)C(N)=S
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Mass
MS-NW-0300
1,1-diphenylthiourea
C13H12N2S (Mass of molecular ion: 228)
Source Temperature: 170 °C
Sample Temperature: 0 °C
Direct, 75 eV
16.0 3.0
17.0 4.3
27.0 1.1
32.0 1.5
35.0 1.7
36.0 13.4
38.0 4.5
39.0 4.4
50.0 2.9
51.0 14.3
52.0 1.6
59.0 4.4
60.0 5.6
63.0 2.3
64.0 1.9
65.0 5.5
66.0 8.6
74.0 1.0
75.0 1.0
76.0 1.5
77.0 23.6
78.0 2.5
83.5 4.5
84.0 1.0
84.5 1.0
91.0 3.3
92.0 1.5
93.0 1.4
104.0 2.6
109.0 1.1
110.0 4.5
114.0 2.7
115.0 2.9
118.0 10.1
119.0 100.0
120.0 8.8
126.0 1.0
128.0 1.0
139.0 2.1
140.0 1.7
141.0 2.8
142.0 1.7
143.0 1.0
154.0 1.3
166.0 4.5
167.0 24.5
168.0 40.4
169.0 64.3
170.0 8.4
193.0 3.1
194.0 18.9
195.0 5.9
196.0 1.1
227.0 5.5
228.0 40.3
229.0 6.6
230.0 2.2
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C13 H12 N2 S
|
0.039 g : 0.5 ml DMSO-d6
|
| 1,1-diphenylthiourea
|
 |
Assign. Shift(ppm)
A 7.37
B 7.25
|
Hz ppm Int.
2957.76 7.401 64
2949.34 7.380 373
2946.04 7.372 421
2943.48 7.366 1000
2939.70 7.356 77
2938.72 7.354 73
2937.38 7.350 94
2907.35 7.275 66
2904.79 7.269 90
2901.49 7.261 103
2898.80 7.254 102
2896.97 7.249 67
2895.87 7.247 80
2892.70 7.239 65
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| 1H NMR |
89.56 MHz |
| C13 H12 N2 S
|
0.043 g : 0.5 ml DMSO-d6
|
| 1,1-diphenylthiourea
|
|
Assign. Shift(ppm)
A 7.49
B 7.62 to 7.11
|
Hz ppm Int.
671.63 7.500 42
670.50 7.487 46
669.75 7.479 45
669.06 7.471 45
668.69 7.467 45
667.88 7.458 44
667.13 7.449 43
666.44 7.442 45
662.19 7.394 167
658.19 7.350 1000
655.69 7.322 187
653.88 7.302 101
652.88 7.290 100
651.00 7.269 67
649.75 7.255 48
649.13 7.248 42
648.00 7.236 33
646.63 7.221 52
645.19 7.204 30