1-Iodo-3-methylbutane(541-28-6) 13C NMR
Product Name1-Iodo-3-methylbutane
CAS541-28-6
Molecular FormulaC5H11I
Molecular Weight198.05
InChIInChI=1S/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
InChIKey BUZZUHJODKQYTF-UHFFFAOYSA-N
SmilesC(I)CC(C)C
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MassMS-NW-1118 1-iodo-3-methylbutane C5H11I (Mass of molecular ion: 198)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 1.1 27.0 17.2 28.0 2.3 29.0 12.7 39.0 7.9 40.0 1.3 41.0 22.7 42.0 3.6 43.0 100.0 44.0 3.4 53.0 1.8 55.0 17.6 56.0 1.7 69.0 1.1 71.0 65.0 72.0 3.6 127.0 2.2 155.0 2.9 198.0 12.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H11 I 0.02 ml : 0.5 ml CDCl3 1-iodo-3-methylbutane 
Assign. Shift(ppm)
A 3.20 B 1.88 to 1.59 C 0.91
Hz ppm Int.294.50 3.289 161 294.13 3.285 173 292.63 3.268 58 290.75 3.247 44 290.25 3.241 50 286.88 3.204 320 284.00 3.172 48 283.31 3.164 44 280.00 3.127 230 165.06 1.844 44 163.13 1.822 57 161.19 1.800 117 160.88 1.797 118 160.44 1.792 118 159.81 1.785 122 156.19 1.744 151 153.94 1.719 204 153.00 1.709 179 149.88 1.674 125 148.88 1.663 103 147.13 1.643 96 145.88 1.629 61 144.94 1.619 50 84.25 0.941 1000 81.31 0.908 301 77.94 0.871 722
in CDCl3
CCl4 solution
liquid film
