間氟碘苯(1121-86-4)Raman光譜
InChI:InChI=1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey: VSKSBSORLCDRHS-UHFFFAOYSA-N
Smiles:C1(F)=CC=CC(I)=C1
-
Mass
MS-NW-9214
m-fluoroiodobenzene
C6H4FI (Mass of molecular ion: 222)
Source Temperature: 270 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
31.0 2.3
37.0 3.5
38.0 3.2
39.0 1.9
49.0 2.7
50.0 16.7
51.0 6.6
56.0 1.0
57.0 1.9
61.0 2.7
62.0 2.8
63.0 2.3
68.0 8.5
69.0 9.8
73.0 2.5
74.0 10.8
75.0 45.6
76.0 4.0
92.0 1.7
93.0 2.4
94.0 8.3
95.0 95.7
96.0 6.3
111.0 3.1
127.0 8.9
222.0 100.0
223.0 6.7
parameter in TMS
400 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C6 H4 F I
|
10 mol% in TMS
|
| m-fluoroiodobenzene
|
 |
Parameter ppm Hz
D(A) 7.337
D(B) 6.884
D(C) 6.881
D(D) 7.362
J(A,B) 2.50
J(A,C) 0.30
J(A,D) 1.57
J(A,X) 8.14
J(B,C) 8.38
J(B,D) 0.95
J(B,X) 8.42
J(C,D) 7.88
J(C,X) 5.85
J(D,X) -0.27
LOEMKER,J.E. ET AL. J.PHYS.CHEM. 72, 991 (1968)
|
Hz ppm Int.
2219.07 7.397 23
2217.06 7.390 38
2215.61 7.385 151
2213.98 7.380 308
2212.39 7.375 364
2210.66 7.369 150
2209.98 7.367 128
2208.27 7.361 350
2207.45 7.358 451
2205.68 7.352 639
2203.89 7.346 1000
2201.35 7.338 155
2199.04 7.330 329
2197.61 7.325 257
2196.58 7.322 496
2194.82 7.316 183
2078.29 6.928 14
2076.35 6.921 47
2074.28 6.914 42
2071.16 6.904 769
2069.48 6.898 938
2068.49 6.895 412
2066.85 6.889 318
2065.79 6.886 555
2064.73 6.882 465
2060.81 6.869 375
2060.21 6.867 433
2058.30 6.861 745
2055.99 6.853 210
2050.80 6.836 21
2049.81 6.833 10
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| 1H NMR |
399.65 MHz |
| C6 H4 F I
|
0.05 ml : 0.5 ml CDCl3
|
| m-fluoroiodobenzene
|
|
Assign. Shift(ppm)
A 7.452
B 7.413
C 7.02 to 7.00
|
Hz ppm Int.
2983.89 7.467 296
2982.30 7.463 368
2981.32 7.460 221
2980.35 7.458 333
2979.49 7.456 221
2978.27 7.453 257
2977.78 7.451 216
2976.07 7.447 375
2975.71 7.446 384
2975.10 7.445 364
2973.51 7.441 427
2968.63 7.429 282
2967.90 7.427 325
2967.04 7.425 317
2965.70 7.421 508
2964.23 7.418 203
2960.33 7.408 316
2959.84 7.407 275
2957.76 7.401 479
2956.05 7.397 225
2820.19 7.057 67
2819.58 7.056 72
2813.72 7.041 124
2813.23 7.040 115
2811.77 7.036 440
2811.16 7.035 375
2809.81 7.031 372
2807.62 7.026 355
2806.40 7.023 748
2805.05 7.019 1000
2801.64 7.011 383
2799.19 7.005 868
2798.22 7.002 481
2797.24 7.000 415
2793.33 6.990 79
2791.02 6.984 92
2788.94 6.979 32