1-氯-2-碘苯(615-41-8)核磁圖(13CNMR)
InChI:InChI=1S/C6H4ClI/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey: MPEOPBCQHNWNFB-UHFFFAOYSA-N
Smiles:C1(Cl)=CC=CC=C1I
-
Mass
MS-NW-8540
o-chloroiodobenzene
C6H4ClI (Mass of molecular ion: 238)
Source Temperature: 260 °C
Sample Temperature: 140 °C
Reservoir, 75 eV
27.0 1.0
36.0 1.1
37.0 3.6
38.0 2.7
39.0 1.5
49.0 4.1
50.0 30.7
51.0 8.4
61.0 2.1
72.0 1.1
73.0 4.3
74.0 17.3
75.0 59.4
76.0 14.1
84.0 3.3
85.0 5.8
86.0 1.3
87.0 1.8
110.0 1.7
111.0 83.3
112.0 6.0
113.0 26.5
114.0 1.8
119.0 2.9
127.0 9.0
238.0 100.0
239.0 6.6
240.0 32.0
241.0 2.1
400 MHz in CDCl3
parameter in TMS
-
| 1H NMR |
399.65 MHz |
| C6 H4 Cl I
|
0.05 ml : 0.5 ml CDCl3
|
| o-chloroiodobenzene
|
 |
Assign. Shift(ppm)
A 7.809
B 7.405
C 7.246
D 6.914
|
Hz ppm Int.
3125.98 7.822 805
3124.39 7.818 861
3121.58 7.811 61
3117.92 7.802 860
3116.46 7.798 914
3114.01 7.792 46
2964.60 7.418 741
2963.26 7.415 795
2956.54 7.398 986
2954.96 7.394 1000
2904.30 7.268 700
2902.71 7.264 664
2900.39 7.258 52
2896.97 7.249 782
2896.24 7.247 663
2895.39 7.245 870
2894.78 7.244 667
2891.36 7.235 48
2888.92 7.229 647
2887.33 7.225 630
2771.48 6.935 709
2769.90 6.931 679
2767.58 6.926 53
2764.04 6.917 681
2763.55 6.915 816
2762.57 6.913 778
2761.96 6.911 778
2758.67 6.903 46
2756.10 6.897 570
2754.64 6.893 629
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| 1H NMR |
300 MHz |
| C6 H4 Cl I
|
10 mol% in TMS
|
| o-chloroiodobenzene
|
|
Parameter ppm Hz
D(A) 7.714
D(B) 6.751
D(C) 7.087
D(D) 7.284
J(A,B) 7.96
J(A,C) 1.55
J(A,D) 0.30
J(B,C) 7.40
J(B,D) 1.53
J(C,D) 8.01
CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)
|
Hz ppm Int.
2319.00 7.730 848
2317.47 7.725 861
2311.05 7.703 897
2309.53 7.698 908
2190.24 7.301 751
2188.72 7.296 772
2182.25 7.274 990
2180.71 7.269 1000
2134.43 7.115 543
2132.89 7.110 540
2127.02 7.090 735
2126.48 7.088 642
2125.49 7.085 758
2119.05 7.063 485
2117.50 7.058 473
2033.55 6.778 565
2032.00 6.773 558
2025.64 6.752 732
2024.57 6.749 695
2024.12 6.747 687
2018.22 6.727 466
2016.67 6.722 455