2,5-二氯苯酚(583-78-8)紅外圖譜(IR3)
InChI:InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKey: RANCECPPZPIPNO-UHFFFAOYSA-N
Smiles:C1(O)=CC(Cl)=CC=C1Cl
-
Mass
MS-NW-9196
2,5-dichlorophenol
C6H4Cl2O (Mass of molecular ion: 162)
Source Temperature: 250 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
31.0 1.6
36.0 1.8
37.0 3.5
38.0 3.7
39.0 2.4
48.0 1.9
49.0 6.0
50.0 2.9
53.0 4.6
60.0 1.5
61.0 5.1
62.0 7.7
63.0 38.5
64.0 3.8
66.0 1.0
72.0 1.6
73.0 9.0
74.0 2.7
75.0 3.2
81.0 3.7
82.0 2.4
83.0 1.3
91.0 2.8
97.0 2.0
98.0 23.8
99.0 19.7
100.0 8.6
101.0 6.2
126.0 6.9
127.0 1.9
128.0 2.7
133.0 2.8
134.0 2.1
135.0 1.8
136.0 1.4
162.0 100.0
163.0 6.7
164.0 63.9
165.0 4.3
166.0 10.6
90 MHz in CDCl3
parameter in CDCl3
-
| 1H NMR |
89.56 MHz |
| C6 H4 Cl2 O
|
0.048 g : 0.5 ml CDCl3
|
| 2,5-dichlorophenol
|
 |
Assign. Shift(ppm)
A 7.211
B 7.028
C 6.859
D 5.60
J(A,C)=8.5HZ. J(B,C)=2.4HZ. J(A,B)=0.3HZ.
|
Hz ppm Int.
651.13 7.271 295
642.63 7.176 485
630.81 7.044 351
628.75 7.021 448
628.44 7.017 435
618.63 6.908 420
616.25 6.881 302
610.13 6.813 252
607.75 6.786 203
501.31 5.598 1000
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| 1H NMR |
300 MHz |
| C6 H4 Cl2 O
|
0.048 g : 0.5 ml CDCl3
|
| 2,5-dichlorophenol
|
|
Parameter ppm Hz
D(A) 7.211
D(B) 7.028
D(C) 6.859
J(A,B) 0.3
J(A,C) 8.5
J(B,C) 2.4
D(D) 5.60
|
Hz ppm Int.
2167.72 7.226 393
2159.22 7.197 461
2109.63 7.032 419
2107.25 7.024 458
2062.95 6.876 290
2060.56 6.869 265
2054.45 6.848 247
2052.06 6.840 226
1680.00 5.600 1000