4,5-二氯苯二甲酸(56962-08-4)Raman光譜
分子式:C8H4Cl2O4
分子量: 235.02
InChI:InChI=1S/C8H4Cl2O4/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2H,(H,11,12)(H,13,14)
InChIKey: FDOQKGWUMUEJLX-UHFFFAOYSA-N
Smiles:C1(C(O)=O)=CC(Cl)=C(Cl)C=C1C(O)=O
-
Mass
MS-NW-7181
4,5-dichlorophthalic acid
C8H4Cl2O4 (Mass of molecular ion: 234)
Source Temperature: 170 °C
Sample Temperature: 140 °C
Direct, 75 eV
17.0 5.1
18.0 22.9
28.0 5.7
29.0 1.7
35.0 1.7
36.0 6.0
36.5 1.9
37.0 19.6
38.0 5.9
39.0 1.9
44.0 9.5
45.0 14.6
47.0 2.8
48.0 2.8
49.0 7.4
50.0 11.8
50.5 2.8
51.0 4.7
53.0 8.5
54.0 12.5
54.5 9.7
55.0 5.7
55.5 3.5
60.0 3.7
61.0 9.6
62.0 9.0
63.0 11.0
64.0 1.6
66.0 1.2
68.0 2.8
68.5 1.2
69.0 1.6
71.0 2.2
72.0 24.5
72.5 2.5
73.0 44.8
73.5 1.4
74.0 72.6
75.0 19.2
76.0 1.7
77.0 2.8
81.0 6.2
82.0 4.7
83.0 5.1
84.0 16.7
85.0 5.7
86.0 11.2
86.5 1.1
87.0 8.2
88.0 1.1
89.0 1.8
90.0 2.3
91.0 2.3
94.0 2.3
95.0 1.5
96.0 2.9
97.0 10.5
98.0 2.2
99.0 6.7
100.0 3.0
101.0 4.9
102.0 1.1
107.0 5.0
108.0 13.4
108.5 1.1
109.0 42.3
110.0 10.1
111.0 17.4
112.0 2.3
113.0 1.8
117.0 1.8
118.0 2.1
119.0 1.1
125.0 2.7
126.0 2.1
127.0 1.4
132.0 1.5
133.0 23.0
134.0 2.6
135.0 14.8
136.0 1.3
137.0 4.8
139.0 1.2
143.0 1.3
144.0 50.4
145.0 25.0
146.0 35.3
147.0 16.1
148.0 6.8
149.0 3.1
153.0 1.3
155.0 1.2
160.0 3.6
161.0 7.0
162.0 5.6
163.0 5.1
164.0 2.7
165.0 1.2
172.0 71.6
173.0 100.0
174.0 51.8
175.0 62.1
176.0 12.5
177.0 10.6
178.0 1.1
181.0 1.9
189.0 6.6
190.0 99.4
191.0 12.1
192.0 64.0
193.0 6.0
194.0 11.2
195.0 1.0
216.0 38.9
217.0 23.4
218.0 26.7
219.0 14.9
220.0 5.6
221.0 2.7
234.0 46.1
235.0 4.8
236.0 30.5
237.0 3.1
238.0 5.5