3-氯氟苯(625-98-9)Raman光譜
InChI:InChI=1S/C6H4ClF/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey: VZHJIJZEOCBKRA-UHFFFAOYSA-N
Smiles:C1(Cl)=CC=CC(F)=C1
-
Mass
MS-NW-1004
m-chlorofluorobenzene
C6H4ClF (Mass of molecular ion: 130)
Source Temperature: 260 °C
Sample Temperature: 130 °C
Reservoir, 75 eV
31.0 1.1
37.0 1.8
38.0 1.5
39.0 1.0
49.0 1.2
50.0 5.9
51.0 2.3
57.0 1.1
61.0 1.4
62.0 1.3
63.0 1.8
65.0 2.7
66.0 1.0
68.0 3.3
69.0 3.4
70.0 1.0
73.0 1.6
74.0 4.4
75.0 14.6
76.0 1.2
93.0 2.0
94.0 6.2
95.0 41.0
96.0 2.7
109.0 1.3
130.0 100.0
131.0 6.7
132.0 31.6
133.0 2.1
400 MHz in CDCl3
90 MHz in CDCl3
parameter in TMS
-
| 1H NMR |
399.65 MHz |
| C6 H4 Cl F
|
0.05 ml : 0.5 ml CDCl3
|
| m-chlorofluorobenzene
|
 |
Assign. Shift(ppm)
A 7.213
B 7.097
C 7.055
D 6.926
|
Hz ppm Int.
2894.65 7.243 420
2888.55 7.228 492
2886.35 7.223 942
2880.25 7.207 1000
2878.30 7.203 664
2872.19 7.187 689
2845.70 7.121 45
2844.60 7.118 62
2843.87 7.116 92
2842.77 7.114 133
2841.43 7.110 649
2841.19 7.110 649
2840.45 7.108 750
2839.60 7.106 765
2838.50 7.103 784
2835.21 7.095 70
2833.37 7.090 455
2832.40 7.088 507
2831.42 7.085 652
2830.44 7.083 625
2826.17 7.072 635
2824.10 7.067 851
2822.02 7.062 528
2819.70 7.056 77
2817.63 7.051 622
2815.31 7.045 838
2813.23 7.040 571
2780.03 6.957 30
2777.83 6.951 487
2776.86 6.949 538
2775.39 6.945 450
2774.41 6.943 440
2769.53 6.930 821
2768.43 6.928 834
2766.97 6.924 777
2765.99 6.922 766
2761.11 6.909 425
2760.13 6.907 431
2758.67 6.903 390
2757.69 6.901 384
-
| 1H NMR |
89.56 MHz |
| C6 H4 Cl F
|
0.02 ml : 0.5 ml CDCl3
|
| m-chlorofluorobenzene
|
|
Assign. Shift(ppm)
A 6.83 to 7.41
|
Hz ppm Int.
662.81 7.401 144
655.06 7.315 190
654.31 7.306 307
649.13 7.248 393
648.06 7.237 146
646.50 7.219 649
643.06 7.181 253
641.94 7.168 486
641.25 7.161 1000
640.00 7.147 591
639.25 7.138 685
638.69 7.132 752
636.81 7.111 317
634.88 7.089 216
633.50 7.074 247
632.38 7.061 403
631.94 7.057 319
630.88 7.045 314
630.25 7.038 443
629.81 7.033 438
628.56 7.019 319
627.75 7.010 200
624.69 6.976 204
624.06 6.969 324
623.19 6.959 173
621.81 6.943 287
620.63 6.930 141
614.56 6.862 246
-
| 1H NMR |
300 MHz |
| C6 H4 Cl F
|
10 mol% in TMS
|
| m-chlorofluorobenzene
|
|
Parameter ppm Hz
D(A) 6.980
D(B) 6.814
D(C) 7.094
D(D) 7.009
J(A,B) 2.45
J(A,C) 0.39
J(A,D) 2.01
J(A,X) 8.66
J(B,C) 8.42
J(B,D) 0.89
J(B,X) 8.23
J(C,D) 8.02
J(C,X) 6.08
J(D,X) -0.59
LOEMKER,J.E. ET AL. J.PHYS.CHEM. 72, 991 (1968)
|
Hz ppm Int.
2140.42 7.135 196
2138.50 7.128 78
2133.83 7.113 336
2131.93 7.106 485
2126.06 7.087 557
2124.76 7.083 308
2123.67 7.079 360
2118.21 7.061 433
2117.85 7.059 439
2107.70 7.026 472
2106.43 7.021 699
2105.74 7.019 671
2104.52 7.015 715
2100.61 7.002 391
2100.05 7.000 348
2098.79 6.996 1000
2097.10 6.990 932
2091.80 6.973 354
2089.70 6.966 588
2087.65 6.959 319
2053.93 6.846 281
2052.88 6.843 284
2051.51 6.838 271
2050.47 6.835 250
2045.83 6.819 423
2043.85 6.813 493
2042.20 6.807 460
2037.78 6.793 232
2036.51 6.788 231
2035.22 6.784 240
2033.97 6.780 201