1-IODO-2-METHYLBUTANE(616-14-8) IR1
Product Name1-IODO-2-METHYLBUTANE
CAS616-14-8
Molecular FormulaC5H11I
Molecular Weight198.05
InChIInChI=1S/C5H11I/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
InChIKey RHBHXHXNWHTGSO-UHFFFAOYSA-N
SmilesC(I)C(C)CC
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MassMS-IW-9725 1-iodo-2-methylbutane C5H11I (Mass of molecular ion: 198)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 11.4 28.0 1.5 29.0 22.4 38.0 1.0 39.0 11.1 40.0 1.7 41.0 35.2 42.0 7.4 43.0 99.7 44.0 3.3 53.0 2.1 55.0 17.0 56.0 1.4 69.0 1.2 70.0 1.9 71.0 100.0 72.0 5.6 127.0 2.9 128.0 3.6 141.0 1.0 169.0 2.5 198.0 10.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H11 I 0.05 ml : 0.5 ml CDCl3 1-iodo-2-methylbutane 
Assign. Shift(ppm)
A *1 3.229 B *1 3.171 C 1.40 D 1.268 E 0.977 F 0.892
Hz ppm Int.1299.32 3.252 160 1294.68 3.240 149 1289.67 3.227 314 1285.03 3.216 279 1273.56 3.187 270 1267.70 3.173 284 1263.92 3.163 133 1258.18 3.149 139 579.59 1.451 49 573.85 1.436 96 572.39 1.433 57 568.60 1.423 63 566.53 1.418 128 565.06 1.414 68 563.72 1.411 73 562.26 1.407 127 561.28 1.405 134 559.33 1.400 89 557.25 1.395 145 556.40 1.393 163 551.39 1.380 130 550.17 1.377 132 545.29 1.365 88 539.31 1.350 39 519.41 1.300 44 518.55 1.298 55 513.55 1.285 70 512.21 1.282 88 505.86 1.266 100 504.88 1.264 106 498.41 1.248 90 393.80 0.986 957 387.33 0.970 900 368.65 0.923 45 364.01 0.911 474 356.69 0.893 1000 352.17 0.882 67 349.37 0.875 576
in CDCl3
liquid film
