2-溴芴(1133-80-8)紅外圖譜(IR1)
InChI:InChI=1S/C13H9Br/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKey: FXSCJZNMWILAJO-UHFFFAOYSA-N
Smiles:C1C2=C(C=CC=C2)C2=C1C=C(Br)C=C2
-
Mass
MS-NW-6232
2-bromofluorene
C13H9Br (Mass of molecular ion: 244)
Source Temperature: 240 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 1.1
39.0 1.2
50.0 1.2
62.0 1.7
63.0 2.9
69.0 1.2
69.5 4.4
74.0 1.8
75.0 1.3
81.0 3.2
81.5 8.1
82.0 7.2
82.5 18.6
83.0 2.9
86.0 1.5
87.0 2.0
89.0 1.2
115.0 2.0
122.0 1.5
123.0 1.6
137.0 1.1
138.0 1.2
139.0 2.8
162.0 1.9
163.0 14.0
164.0 11.1
165.0 100.0
166.0 17.2
167.0 1.5
243.0 1.4
244.0 32.7
245.0 6.1
246.0 31.3
247.0 5.0
parameter in CDCl3
400 MHz in CDCl3
parameter in DMSO-d6
-
| 1H NMR |
300 MHz |
| C13 H9 Br
|
in CDCl3
|
| 2-bromofluorene
|
 |
Parameter ppm Hz
D(A) 7.520
D(B) 7.380
D(C) 7.460
J(A,B) 1.75
J(A,C) 0.50
J(B,C) 8.35
D(D) 7.600
D(E) 7.260
D(F) 7.235
D(G) 7.405
J(D,E) 7.35
J(D,F) 1.26
J(D,G) 0.70
J(E,F) 7.45
J(E,G) 1.20
J(F,G) 7.60
D(H) 3.755
MATHIEU,A. ET AL. BULL.SOC.CHIM.FR. 1974, 299
|
Hz ppm Int.
2284.78 7.616 73
2284.12 7.614 75
2282.19 7.607 104
2278.96 7.597 65
2277.28 7.591 79
2276.19 7.587 91
2275.54 7.585 88
2256.69 7.522 185
2255.42 7.518 190
2255.02 7.517 188
2243.09 7.477 115
2242.72 7.476 115
2234.76 7.449 230
2226.50 7.422 70
2225.88 7.420 72
2224.72 7.416 68
2223.01 7.410 61
2219.73 7.399 128
2218.32 7.394 220
2216.68 7.389 211
2212.31 7.374 15
2209.95 7.366 93
2208.28 7.361 87
2187.43 7.291 21
2185.58 7.285 40
2180.01 7.267 129
2178.16 7.261 113
2176.81 7.256 137
2174.12 7.247 251
2171.32 7.238 106
2169.86 7.233 102
2168.08 7.227 99
2162.40 7.208 29
2160.66 7.202 18
1126.50 3.755 1000
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| 1H NMR |
399.65 MHz |
| C13 H9 Br
|
0.039 g : 0.5 ml CDCl3
|
| 2-bromofluorene
|
|
Assign. Shift(ppm)
A 7.710
B 7.630
C 7.582
D 7.496
E 7.463
F 7.351
G 7.303
J 3.823
ASSIGNED BY C-H COSY
|
Hz ppm Int.
3084.96 7.720 263
3078.00 7.702 302
3050.17 7.633 426
3049.07 7.630 420
3048.46 7.628 373
3035.16 7.595 403
3026.98 7.575 557
3001.10 7.510 194
3000.00 7.507 244
2999.02 7.505 195
2992.55 7.488 288
2991.70 7.486 228
2987.06 7.475 321
2986.21 7.473 253
2985.23 7.470 307
2978.88 7.454 230
2978.15 7.452 182
2977.05 7.450 223
2947.14 7.375 105
2946.53 7.373 107
2945.92 7.372 113
2939.70 7.356 275
2939.21 7.355 270
2938.48 7.353 267
2932.37 7.338 207
2931.76 7.336 193
2931.03 7.334 179
2925.42 7.320 297
2924.07 7.317 329
2918.09 7.302 391
2916.75 7.299 365
2910.64 7.283 147
2909.42 7.280 133
1528.08 3.824 1000
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| 1H NMR |
300 MHz |
| C13 H9 Br
|
in DMSO-d6
|
| 2-bromofluorene
|
|
Parameter ppm Hz
D(A) 7.730
D(B) 7.540
D(C) 7.800
J(A,B) 1.70
J(A,C) 0.50
J(B,C) 8.00
D(D) 7.865
D(E) 7.385
D(F) 7.345
D(G) 7.560
J(D,E) 7.50
J(D,F) 1.10
J(D,G) 0.70
J(E,F) 7.65
J(E,G) 1.15
J(F,G) 7.50
D(H) 3.890
MATHIEU,A. ET AL. BULL.SOC.CHIM.FR. 1974, 299
|
Hz ppm Int.
2363.63 7.879 96
2362.28 7.874 125
2357.50 7.858 82
2356.30 7.854 107
2355.70 7.852 115
2344.19 7.814 183
2336.18 7.787 224
2319.79 7.733 213
2318.29 7.728 231
2272.23 7.574 94
2271.44 7.571 90
2270.24 7.567 76
2266.59 7.555 192
2265.01 7.550 225
2258.62 7.529 128
2256.97 7.523 122
2224.67 7.416 36
2223.17 7.411 47
2217.04 7.390 123
2215.57 7.385 117
2210.31 7.368 236
2208.39 7.361 222
2203.09 7.344 109
2201.77 7.339 107
2195.53 7.318 38
2194.14 7.314 31
1167.01 3.890 1000