2,4,6-三氯苯酚(88-06-2)紅外圖譜(IR2)
InChI:InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey: LINPIYWFGCPVIE-UHFFFAOYSA-N
Smiles:C1(O)=C(Cl)C=C(Cl)C=C1Cl
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Mass
MS-NW-0282
2,4,6-trichlorophenol
C6H3Cl3O (Mass of molecular ion: 196)
Source Temperature: 100 °C
Sample Temperature: 0 °C
Direct, 75 eV
37.0 2.3
48.0 6.7
48.5 1.3
49.0 2.7
50.0 1.1
53.0 3.0
60.0 1.7
61.0 6.0
62.0 7.7
63.0 3.0
66.0 4.9
67.0 3.2
72.0 2.3
73.0 3.7
74.0 1.1
75.0 1.0
80.0 1.9
81.0 1.1
83.0 1.4
96.0 2.3
97.0 25.5
98.0 5.3
99.0 11.0
100.0 1.7
107.0 2.7
109.0 1.8
125.0 1.0
132.0 24.4
133.0 5.4
134.0 15.8
135.0 3.4
136.0 2.6
160.0 12.9
161.0 1.2
162.0 8.8
164.0 1.4
167.0 2.2
169.0 2.0
196.0 100.0
197.0 7.3
198.0 95.1
199.0 6.8
200.0 30.9
201.0 2.0
202.0 3.5
parameter in CDCl3
400 MHz in CDCl3