2-Bromofluorene(1133-80-8) Raman
Product Name2-Bromofluorene
CAS1133-80-8
Molecular FormulaC13H9Br
Molecular Weight245.11
InChIInChI=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
SmilesC1C2=C(C=CC=C2)C2=C1C=C(Br)C=C2
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MassMS-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
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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
in CDCl3
KBr disc
nujol mull
