2-(2-Bromoethyl)-1,3-dioxane(33884-43-4) IR1
Product Name2-(2-Bromoethyl)-1,3-dioxane
CAS33884-43-4
Molecular FormulaC6H11BrO2
Molecular Weight195.05
InChIInChI=1S/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2
InChIKey WMDHQEHPOVOEOG-UHFFFAOYSA-N
SmilesO1CCCOC1CCBr
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MassMS-NW-7374 2-(2-bromoethyl)-1,3-dioxane C6H11BrO2 (Mass of molecular ion: 194)
Source Temperature: 200 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 2.6 27.0 12.0 28.0 15.5 29.0 10.9 31.0 21.4 39.0 3.4 41.0 9.1 43.0 1.1 55.0 2.3 56.0 3.0 57.0 13.9 58.0 1.1 59.0 14.0 87.0 100.0 88.0 4.9 107.0 5.3 108.0 1.0 109.0 5.4 135.0 3.9 136.0 1.2 137.0 4.2 138.0 1.1 193.0 5.0 195.0 5.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H11 Br O2 0.05 ml : 0.5 ml CDCl3 2-(2-bromoethyl)-1,3-dioxane 
Assign. Shift(ppm)
A 4.702 B 4.096 C 3.782 D 3.453 E 2.129 F 2.059 G 1.355
Hz ppm Int.1884.28 4.715 226 1879.27 4.703 434 1874.15 4.690 232 1646.48 4.120 197 1645.14 4.117 254 1643.92 4.114 128 1641.48 4.108 206 1640.14 4.104 262 1638.79 4.101 130 1635.86 4.094 123 1634.64 4.091 285 1633.30 4.087 260 1630.98 4.082 142 1629.64 4.078 291 1628.30 4.075 246 1524.66 3.815 214 1523.07 3.812 173 1522.09 3.809 235 1520.63 3.805 133 1514.04 3.789 119 1512.08 3.784 334 1509.89 3.779 339 1508.30 3.775 154 1501.71 3.758 103 1500.24 3.754 199 1499.27 3.752 158 1497.68 3.748 193 1387.33 3.472 536 1380.37 3.454 1000 1373.54 3.437 570 860.47 2.154 343 855.47 2.141 344 853.64 2.136 632 848.51 2.124 624 846.68 2.119 388 843.51 2.111 53 841.67 2.107 394 836.55 2.094 76 834.11 2.088 98 833.13 2.085 79 829.10 2.075 168 828.13 2.073 124 824.10 2.063 89 823.12 2.060 72 821.66 2.056 65 820.68 2.054 101 816.53 2.044 98 815.67 2.041 177 811.52 2.031 54 810.67 2.029 91 808.23 2.023 52 803.22 2.010 83 798.22 1.998 41 552.12 1.382 57 550.78 1.379 105 549.56 1.376 151 548.22 1.372 192 547.00 1.369 157 545.65 1.366 115 544.43 1.363 64 538.70 1.348 57 537.35 1.345 100 536.13 1.342 140 534.79 1.339 175 533.57 1.336 139 532.23 1.332 100 530.88 1.329 54
in CDCl3
liquid film
