CHLOROXYNIL(1891-95-8) 1H NMR
Molecular FormulaC7H3Cl2NO
Molecular Weight188.01
InChIInChI=1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKey YRSSHOVRSMQULE-UHFFFAOYSA-N
SmilesC(#N)C1=CC(Cl)=C(O)C(Cl)=C1
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Mass
MS-NW-9916
3,5-dichloro-4-hydroxybenzonitrile
C7H3Cl2NO (Mass of molecular ion: 187)
Source Temperature: 260 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
17.0 1.2
18.0 6.8
36.0 2.8
37.0 4.9
38.0 4.6
39.0 1.9
44.0 1.3
44.5 1.8
47.0 1.9
48.0 1.7
49.0 2.9
50.0 1.7
53.0 5.5
60.0 1.5
61.0 7.0
61.5 1.7
62.0 13.8
62.5 1.1
63.0 8.0
64.0 3.0
72.0 3.9
73.0 4.2
74.0 2.3
75.0 2.0
76.5 1.5
79.5 2.2
80.5 1.4
86.0 1.3
87.0 3.6
88.0 45.9
89.0 18.5
90.0 4.9
91.0 1.2
93.5 2.8
94.5 1.7
97.0 3.5
98.0 4.0
99.0 2.3
100.0 1.7
117.0 6.3
118.0 1.0
119.0 2.1
123.0 21.5
124.0 9.6
125.0 10.4
126.0 3.5
127.0 1.2
151.0 21.5
152.0 2.8
153.0 51.0
154.0 5.0
155.0 14.5
156.0 1.3
158.0 1.7
159.0 2.7
160.0 1.4
161.0 1.7
187.0 100.0
188.0 8.7
189.0 64.1
190.0 5.4
191.0 10.5
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1H NMR |
399.65 MHz |
C7 H3 Cl2 N O
|
0.033 g : 0.5 ml DMSO-d6
|
3,5-dichloro-4-hydroxybenzonitrile
|
|
Assign. Shift(ppm)
A 7.912
|
Hz ppm Int.
3162.23 7.913 1000