2-Butylbenzofuran(4265-27-4) 13C NMR
Product Name2-Butylbenzofuran
CAS4265-27-4
Molecular FormulaC12H14O
Molecular Weight174.24
InChIInChI=1S/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h4-6,8-9H,2-3,7H2,1H3
InChIKey OVJKFJDEVKABNF-UHFFFAOYSA-N
SmilesO1C2=CC=CC=C2C=C1CCCC
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MassMS2015-05284CW 2-butylbenzofuran C12H14O (Mass of molecular ion: 174)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
39.0 1.1 51.0 1.6 63.0 1.4 77.0 6.8 89.0 1.2 91.0 1.6 102.0 2.0 103.0 3.1 115.0 3.4 118.0 1.0 131.0 100.0 132.0 29.3 133.0 2.9 144.0 1.7 145.0 3.0 159.0 1.0 174.0 28.4 175.0 3.7
in DMSO-d6
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H14 O 0.05 ml : 0.5 ml CDCl3 2-butylbenzofuran 
Assign. Shift(ppm)
A 7.442 B 7.389 C *1 7.16 D *1 7.14 E 6.321 F 2.721 G 1.693 J 1.387 K 0.927
Hz ppm Int.2979.37 7.455 112 2978.76 7.454 118 2977.66 7.451 110 2975.95 7.447 95 2972.53 7.438 173 2970.34 7.433 139 2969.85 7.432 138 2958.74 7.404 75 2958.01 7.402 110 2957.03 7.400 90 2956.42 7.398 109 2955.57 7.396 105 2952.15 7.387 69 2951.17 7.385 80 2950.32 7.383 91 2949.46 7.381 154 2948.73 7.379 142 2947.88 7.377 92 2872.68 7.188 50 2870.85 7.184 75 2865.36 7.170 189 2863.53 7.166 183 2861.08 7.159 221 2858.64 7.153 408 2855.83 7.146 178 2853.88 7.141 218 2852.29 7.137 208 2846.56 7.123 74 2845.09 7.119 50 2527.22 6.324 136 2526.25 6.322 345 2525.39 6.320 371 2524.41 6.317 161 1095.34 2.741 166 1094.60 2.739 174 1087.40 2.721 290 1080.20 2.703 185 1079.35 2.701 192 692.02 1.732 74 685.79 1.716 68 684.57 1.713 164 682.62 1.709 72 677.00 1.694 220 674.80 1.689 80 672.12 1.682 32 669.31 1.675 167 667.36 1.670 69 661.74 1.656 88 572.63 1.433 43 565.19 1.415 134 557.62 1.396 199 550.05 1.377 208 544.43 1.363 38 542.72 1.358 133 535.40 1.340 42 381.47 0.955 38 377.93 0.946 489 370.61 0.928 1000 363.28 0.909 456 359.86 0.901 32
in CDCl3
in DMSO-d6
liquid film
