1,3-二对甲苯基-2-硫脲(621-01-2)核磁图(1HNMR)
分子式:C15H16N2S
分子量: 256.37
InChI:InChI=1S/C15H16N2S/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,16,17,18)
InChIKey: ULNVBRUIKLYGDF-UHFFFAOYSA-N
Smiles:N(C1=CC=C(C)C=C1)C(NC1=CC=C(C)C=C1)=S
-
Mass
MS-NW-0214
1,3-di(p-tolyl)-2-thiourea
C15H16N2S (Mass of molecular ion: 256)
Source Temperature: 200 °C
Sample Temperature: 0 °C
Direct, 75 eV
18.0 1.8
27.0 2.6
28.0 1.6
38.0 1.3
39.0 8.7
41.0 2.7
45.0 2.0
50.0 3.0
51.0 6.1
52.0 3.3
53.0 3.2
54.0 1.0
62.0 1.6
63.0 5.8
64.0 2.0
65.0 15.1
66.0 1.5
74.5 1.3
75.0 1.0
76.0 1.0
77.0 11.5
78.0 4.4
79.0 8.0
80.0 1.9
89.0 5.7
90.0 3.4
91.0 35.9
92.0 4.1
104.0 3.4
105.0 1.9
106.0 60.5
107.0 100.0
108.0 8.0
116.0 1.9
117.0 1.9
121.0 2.2
123.0 4.1
124.0 8.6
125.0 1.0
126.0 1.0
127.0 3.2
128.0 2.7
131.0 1.6
132.0 4.8
133.0 4.9
148.0 10.3
149.0 25.0
150.0 9.2
151.0 1.9
221.0 3.6
222.0 13.3
223.0 6.7
224.0 1.1
239.0 1.0
255.0 4.3
256.0 35.0
257.0 6.8
258.0 2.2
90 MHz in DMSO-d6
400 MHz in DMSO-d6
-
| 1H NMR |
89.56 MHz |
| C15 H16 N2 S
|
0.036 g : 0.5 ml DMSO-d6
|
| 1,3-di(p-tolyl)-2-thiourea
|
 |
Assign. Shift(ppm)
A 9.57
B 7.327
C 7.131
D 2.274
J(B,C)=8.5HZ
|
Hz ppm Int.
857.44 9.574 201
662.13 7.394 223
653.69 7.299 502
641.56 7.164 430
632.94 7.068 200
203.75 2.276 1000
-
| 1H NMR |
399.65 MHz |
| C15 H16 N2 S
|
0.039 g : 0.5 ml DMSO-d6
|
| 1,3-di(p-tolyl)-2-thiourea
|
|
Assign. Shift(ppm)
A 9.62
B 7.343
C 7.124
D 2.270
|
Hz ppm Int.
3843.69 9.618 260
2939.45 7.356 347
2931.06 7.335 414
2850.95 7.134 369
2842.56 7.113 307
907.29 2.271 1000