12-Bromo-1-dodecanol (3344-77-2) IR1
Product Name12-Bromo-1-dodecanol
CAS3344-77-2
Molecular FormulaC12H25BrO
Molecular Weight265.23
InChIInChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2
InChIKey ASIDMJNTHJYVQJ-UHFFFAOYSA-N
SmilesC(O)CCCCCCCCCCCBr
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MassMS-NW-9923 12-bromo-1-dodecanol C12H25BrO (Mass of molecular ion: 264)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 5.0 18.0 26.1 27.0 7.1 28.0 1.1 29.0 14.3 31.0 9.0 39.0 6.9 40.0 1.5 41.0 54.7 42.0 15.0 43.0 35.2 44.0 2.2 45.0 1.7 53.0 3.7 54.0 9.0 55.0 98.0 56.0 29.4 57.0 27.7 58.0 1.4 65.0 1.2 66.0 1.1 67.0 18.9 68.0 32.9 69.0 100.0 70.0 23.9 71.0 7.8 73.0 2.4 79.0 1.5 80.0 1.2 81.0 14.9 82.0 26.4 83.0 85.8 84.0 13.0 85.0 4.0 95.0 8.3 96.0 8.5 97.0 74.1 98.0 7.8 107.0 2.4 109.0 6.2 110.0 2.7 111.0 14.5 112.0 2.4 121.0 1.6 123.0 4.5 124.0 1.2 125.0 4.7 134.0 3.6 135.0 12.4 136.0 4.1 137.0 12.0 138.0 1.5 139.0 1.4 148.0 33.7 149.0 4.4 150.0 31.7 151.0 3.7 161.0 1.0 162.0 17.3 163.0 4.1 164.0 17.0 165.0 1.6 176.0 4.3 177.0 1.3 178.0 4.0 190.0 1.6 192.0 1.3 205.0 1.1 218.0 2.5 220.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H25 Br O 0.031 g : 0.5 ml CDCl3 12-bromo-1-dodecanol 
Assign. Shift(ppm)
A 3.633 B 3.408 C 1.852 D 1.563 E 1.54 F 1.42 G 1.28
Hz ppm Int.1458.62 3.650 183 1452.03 3.634 349 1445.31 3.617 181 1369.14 3.426 346 1362.30 3.409 703 1355.47 3.392 352 754.64 1.889 77 747.68 1.871 190 745.24 1.865 51 740.72 1.854 204 732.91 1.834 197 726.07 1.817 88 638.67 1.599 38 631.96 1.582 105 624.63 1.563 152 624.15 1.562 152 617.31 1.545 238 610.72 1.529 63 575.20 1.440 83 567.99 1.422 111 560.67 1.403 89 553.47 1.385 55 551.15 1.380 40 550.54 1.378 40 544.19 1.362 81 543.82 1.361 81 542.11 1.357 83 534.42 1.338 147 525.39 1.315 286 510.99 1.279 1000
in CDCl3
KBr disc
nujol mull
