苯基硫代乙内酰脲-(NΕ-苯基硫代氨基甲酰)-赖氨酸(29635-94-7)红外图谱(IR2)
分子式:C20H22N4OS2
分子量: 398.54
InChI:InChI=1S/C20H22N4OS2/c25-18-17(23-20(27)24(18)16-11-5-2-6-12-16)13-7-8-14-21-19(26)22-15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2,(H,23,27)(H2,21,22,26)/t17-/m0/s1
InChIKey: BUPYRERCBPFRFM-KRWDZBQOSA-N
Smiles:N(CCCC[C@H]1C(=O)N(C2=CC=CC=C2)C(=S)N1)C(NC1=CC=CC=C1)=S
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Mass
MS-IW-1079
3-phenyl-5-(4-(3-phenylthioureido)butyl)-2-thioxo-4-imidazolidone
C20H22N4OS2 (Mass of molecular ion: 398)
Source Temperature: 210 °C
Sample Temperature: 190 °C
Direct, 75 eV
27.0 2.3
28.0 4.7
29.0 1.0
30.0 21.5
31.0 1.0
34.0 1.0
38.0 1.5
39.0 4.3
40.0 1.0
41.0 4.0
42.0 1.9
43.0 3.4
44.0 1.2
45.0 1.0
50.0 5.6
51.0 19.9
52.0 2.3
53.0 1.0
54.0 5.1
55.0 4.0
56.0 4.9
57.0 1.4
59.0 13.0
63.0 2.7
64.0 2.9
65.0 4.7
66.0 8.3
67.0 2.9
67.5 4.2
68.0 1.9
69.0 2.0
70.0 2.9
74.0 1.9
75.0 2.0
76.0 3.4
77.0 70.0
78.0 6.1
82.0 6.1
83.0 6.3
84.0 5.4
90.0 1.1
91.0 6.4
92.0 3.7
93.0 31.8
94.0 3.8
95.0 1.1
98.0 2.0
99.0 1.4
103.0 2.1
104.0 3.0
108.0 4.7
109.0 3.2
110.0 1.8
111.0 1.6
112.0 2.4
115.0 1.0
118.0 1.3
119.0 2.3
120.0 1.2
126.0 1.2
127.0 1.3
134.0 1.2
135.0 100.0
136.0 14.7
137.0 5.5
146.0 2.0
151.0 1.2
170.0 1.0
173.0 1.9
177.0 1.1
185.0 1.4
191.0 1.4
192.0 4.7
193.0 1.4
201.0 1.3
202.0 1.7
203.0 3.1
204.0 2.1
205.0 19.3
206.0 3.1
207.0 1.1
213.0 1.1
214.0 1.1
217.0 1.4
219.0 1.3
233.0 1.3
244.0 1.3
245.0 3.5
246.0 19.5
247.0 3.7
248.0 1.2
263.0 33.0
264.0 5.6
265.0 1.9
305.0 4.2