氯苯噻乙酸(18046-21-4)核磁图(13CNMR)
分子式:C17H12ClNO2S
分子量: 329.8
InChI:InChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)
InChIKey: JIEKMACRVQTPRC-UHFFFAOYSA-N
Smiles:S1C(CC(O)=O)=C(C2=CC=C(Cl)C=C2)N=C1C1=CC=CC=C1
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Mass
MS-KW-0434
4-(p-chlorophenyl)-2-phenyl-5-thiazoleacetic acid
C17H12ClNO2S (Mass of molecular ion: 329)
Source Temperature: 200 °C
Sample Temperature: 170 °C
Direct, 75 eV
17.0 2.5
18.0 14.4
28.0 2.5
36.0 1.0
39.0 3.2
44.0 7.9
45.0 9.5
50.0 2.1
51.0 5.8
62.0 2.4
63.0 5.8
69.0 10.2
70.0 1.7
71.0 1.3
73.0 1.9
74.0 1.5
75.0 6.0
76.0 3.0
77.0 8.9
86.0 1.5
87.0 3.4
88.0 1.9
89.0 2.7
91.0 1.0
93.0 1.9
97.0 1.3
99.0 1.5
101.0 14.0
102.0 18.3
103.0 4.7
104.0 2.6
105.0 1.5
110.0 1.0
110.5 1.3
111.0 4.6
111.5 1.2
113.0 4.3
114.0 2.9
115.0 1.4
119.0 1.0
120.0 1.8
121.0 11.6
122.0 1.4
123.0 4.6
123.5 2.5
124.0 5.1
124.5 7.2
125.0 3.8
126.0 1.0
132.0 1.8
134.0 1.2
135.0 2.1
136.0 3.6
137.0 30.2
138.0 4.7
139.0 16.6
140.0 2.8
141.0 3.1
141.5 11.6
142.0 2.8
142.5 4.8
143.0 1.2
144.0 1.1
145.0 10.8
146.0 60.0
147.0 9.5
148.0 3.9
149.0 4.7
151.0 1.5
155.0 6.8
155.5 2.7
156.0 1.4
156.5 1.0
157.0 2.8
163.0 10.0
164.0 1.3
164.5 2.7
165.0 1.8
165.5 1.0
167.0 1.3
172.0 1.0
179.0 3.0
180.0 3.2
181.0 80.6
182.0 13.0
183.0 30.1
184.0 6.8
185.0 1.7
186.0 1.2
246.0 1.1
247.0 1.1
248.0 7.1
249.0 56.1
250.0 11.1
251.0 3.9
252.0 1.4
276.0 5.9
277.0 1.5
282.0 1.2
284.0 91.3
285.0 23.1
286.0 35.0
287.0 8.6
288.0 2.4
310.0 1.0
311.0 19.6
312.0 4.7
313.0 7.6
314.0 1.8
329.0 100.0
330.0 20.5
331.0 38.0
332.0 7.4
333.0 2.3