對(duì)二氯苯(106-46-7)質(zhì)譜(MS)
InChI:InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey: OCJBOOLMMGQPQU-UHFFFAOYSA-N
Smiles:C1(Cl)=CC=C(Cl)C=C1
-
Mass
MS-NW-1381
p-dichlorobenzene
C6H4Cl2 (Mass of molecular ion: 146)
Source Temperature: 250 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
36.0 1.0
37.0 4.1
37.5 1.3
38.0 3.4
49.0 2.8
50.0 14.2
51.0 4.9
55.0 4.6
56.0 1.5
61.0 1.5
73.0 7.5
74.0 12.0
75.0 24.2
76.0 3.3
84.0 2.2
85.0 3.1
86.0 1.4
109.0 1.3
110.0 2.8
111.0 34.3
112.0 3.0
113.0 10.9
146.0 100.0
147.0 7.0
148.0 65.4
149.0 4.4
150.0 10.5
parameter neat
parameter in CDCl3
parameter in cyclohexane
-
| 1H NMR |
300 MHz |
| C6 H4 Cl2
|
neat
|
| p-dichlorobenzene
|
 |
Parameter ppm Hz
D(A) 7.070
CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)
|
Hz ppm Int.
2121.00 7.070 1000
-
| 1H NMR |
300 MHz |
| C6 H4 Cl2
|
0.045 g : 0.5 ml CDCl3
|
| p-dichlorobenzene
|
|
Parameter ppm Hz
D(A) 7.255
|
Hz ppm Int.
2176.50 7.255 1000
-
| 1H NMR |
300 MHz |
| C6 H4 Cl2
|
in cyclohexane
|
| p-dichlorobenzene
|
|
Parameter ppm Hz
D(A) 7.201
MARTIN,J. & DAILEY,B.P. J.CHEM.PHYS. 37, 2594 (1962)
|
Hz ppm Int.
2160.30 7.201 1000