對(duì)氯碘苯(637-87-6)紅外圖譜(IR2)
InChI:InChI=1S/C6H4ClI/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKey: GWQSENYKCGJTRI-UHFFFAOYSA-N
Smiles:C1(Cl)=CC=C(I)C=C1
-
Mass
MS-NW-7703
p-chloroiodobenzene
C6H4ClI (Mass of molecular ion: 238)
Source Temperature: 260 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
36.0 1.0
37.0 3.8
38.0 3.3
49.0 3.0
50.0 27.1
51.0 7.2
61.0 1.6
73.0 4.5
74.0 15.8
75.0 46.5
76.0 11.0
84.0 1.6
85.0 3.9
87.0 1.3
110.0 1.4
111.0 91.0
112.0 6.5
113.0 29.0
114.0 1.9
119.0 5.3
120.0 1.8
127.0 3.9
128.0 1.3
238.0 100.0
239.0 6.9
240.0 32.3
241.0 2.2
parameter in TMS
90 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C6 H4 Cl I
|
10 mol% in TMS
|
| p-chloroiodobenzene
|
 |
Parameter ppm Hz
D(A) 6.941
D(B) 7.479
J(A,A') 2.54
J(A,B) 8.41
J(A,B') 0.33
J(A',B) 0.33
J(A',B') 8.41
J(B,B') 2.22
CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)
|
Hz ppm Int.
2250.87 7.503 101
2248.13 7.494 892
2246.14 7.487 304
2241.50 7.472 322
2239.49 7.465 1000
2236.77 7.456 119
2089.24 6.964 119
2086.52 6.955 998
2084.50 6.948 322
2079.87 6.933 304
2077.87 6.926 894
2075.13 6.917 101
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| 1H NMR |
89.56 MHz |
| C6 H4 Cl I
|
0.041 g : 0.5 ml CDCl3
|
| p-chloroiodobenzene
|
|
Assign. Shift(ppm)
A 7.593
B 7.078
|
Hz ppm Int.
687.81 7.680 87
685.13 7.650 689
683.06 7.627 239
680.69 7.601 62
680.38 7.597 66
678.50 7.576 303
676.38 7.553 993
673.75 7.523 155
640.31 7.150 146
637.69 7.121 1000
635.56 7.097 293
633.56 7.075 61
632.81 7.066 67
631.00 7.046 256
628.94 7.023 692
626.25 6.993 91