2-Ethylhexyl bromide(18908-66-2) Raman
Product Name2-Ethylhexyl bromide
CAS18908-66-2
Molecular FormulaC8H17Br
Molecular Weight193.12
InChIInChI=1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKey NZWIYPLSXWYKLH-UHFFFAOYSA-N
SmilesCCC(CBr)CCCC
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MassMS-NW-4845 3-(bromomethyl)heptane C8H17Br (Mass of molecular ion: 192)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 9.3 29.0 16.3 39.0 6.4 40.0 1.0 41.0 30.5 42.0 5.3 43.0 34.1 44.0 1.2 53.0 2.2 54.0 1.1 55.0 35.9 56.0 11.6 57.0 100.0 58.0 4.6 67.0 1.0 69.0 5.6 70.0 8.1 71.0 39.8 72.0 2.3 83.0 12.3 84.0 1.8 98.0 1.8 99.0 2.8 112.0 1.1 113.0 9.7 135.0 1.8 137.0 1.7 163.0 2.0 165.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H17 Br 0.05 ml : 0.5 ml CDCl3 3-(bromomethyl)heptane 
Assign. Shift(ppm)
A *1 3.457 B *1 3.440 C 1.530 D 1.42 E 1.37 F 1.32 G 1.27 J 0.925 K 0.889 ASSIGNED BY C-H COSY
Hz ppm Int.1393.31 3.487 39 1388.55 3.475 43 1383.30 3.462 318 1380.86 3.456 333 1378.54 3.450 328 1375.98 3.443 332 1370.85 3.431 48 1365.97 3.418 47 619.87 1.552 43 618.65 1.548 47 613.77 1.536 72 607.42 1.520 64 602.29 1.508 35 601.07 1.504 37 582.03 1.457 90 574.58 1.438 256 567.14 1.420 279 560.79 1.404 216 554.81 1.389 103 553.34 1.385 118 551.03 1.379 73 548.58 1.373 107 546.14 1.367 115 542.97 1.359 80 540.16 1.352 131 538.82 1.349 93 537.48 1.345 80 536.25 1.342 93 534.42 1.338 103 530.64 1.328 126 526.61 1.318 141 525.27 1.315 161 523.44 1.310 148 521.12 1.304 149 518.43 1.298 172 517.33 1.295 186 514.53 1.288 117 512.94 1.284 117 510.38 1.278 125 509.16 1.275 97 503.78 1.261 70 503.05 1.259 74 501.95 1.256 81 498.54 1.248 48 497.68 1.246 57 495.85 1.241 46 492.19 1.232 46 489.62 1.226 32 369.38 0.925 242 367.31 0.920 139 366.33 0.917 128 362.55 0.908 921 355.22 0.889 1000 349.73 0.876 79 347.78 0.871 429
in CDCl3
CCl4 solution
liquid film
