4-氯-3-硝基肉桂酸(20797-48-2)紅外圖譜(IR2)
InChI:InChI=1S/C9H6ClNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1-5H,(H,12,13)
InChIKey: QBDALTIMHOITIU-UHFFFAOYSA-N
Smiles:C(O)(=O)C=CC1=CC=C(Cl)C([N+]([O-])=O)=C1
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Mass
MS-IW-1762
4-chloro-3-nitrocinnamic acid
C9H6ClNO4 (Mass of molecular ion: 227)
Source Temperature: 140 °C
Sample Temperature: 100 °C
Direct, 75 eV
28.0 1.0
30.0 3.4
38.0 1.2
39.0 2.5
45.0 2.8
49.0 1.0
50.0 6.3
51.0 8.3
52.0 1.1
53.0 1.1
61.0 1.5
62.0 2.7
63.0 6.4
64.0 1.0
65.0 1.0
68.0 1.1
69.0 3.8
73.0 2.7
74.0 8.5
75.0 15.3
76.0 2.4
77.0 6.4
78.0 1.4
84.0 1.3
85.0 1.5
86.0 1.4
87.0 1.5
89.0 15.0
90.0 4.7
97.0 1.3
98.0 2.5
99.0 9.8
100.0 4.2
101.0 14.0
102.0 9.6
110.0 1.3
111.0 1.3
113.0 2.3
117.0 2.0
118.0 6.9
123.0 1.7
125.0 13.5
126.0 1.5
127.0 4.7
134.0 2.3
135.0 8.0
136.0 15.4
137.0 4.4
138.0 5.5
139.0 1.1
141.0 2.4
145.0 1.5
146.0 1.4
151.0 1.5
152.0 5.4
153.0 1.9
154.0 2.0
163.0 5.5
164.0 3.2
165.0 2.1
166.0 4.6
168.0 1.3
169.0 1.0
180.0 29.9
181.0 10.1
182.0 12.1
183.0 3.8
184.0 1.0
192.0 1.4
208.0 1.2
209.0 1.2
210.0 29.8
211.0 4.1
212.0 10.2
213.0 1.3
226.0 5.8
227.0 100.0
228.0 12.3
229.0 33.5
230.0 3.5