1-Iodobutane(542-69-8) IR1
Product Name1-Iodobutane
CAS542-69-8
Molecular FormulaC4H9I
Molecular Weight184.02
InChIInChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3
InChIKey KMGBZBJJOKUPIA-UHFFFAOYSA-N
SmilesC(I)CCC
-
MassMS-NW-8348 1-iodobutane C4H9I (Mass of molecular ion: 184)
Source Temperature: 250 °C Sample Temperature: 140 °C Reservoir, 75 eV
26.0 2.0 27.0 18.2 28.0 6.8 29.0 61.7 30.0 1.4 39.0 8.7 41.0 50.4 42.0 2.2 43.0 1.6 53.0 1.0 55.0 4.6 56.0 1.4 57.0 100.0 58.0 4.6 127.0 3.7 128.0 1.6 155.0 2.1 184.0 15.1
90 MHz in CDCl3
-
1H NMR 89.56 MHz C4 H9 I 0.04 ml : 0.5 ml CDCl3 1-iodobutane 
Assign. Shift(ppm)
A 3.195 B 1.80 C 1.42 D 0.93
Hz ppm Int.293.56 3.278 343 286.63 3.201 1000 279.81 3.125 484 177.13 1.978 53 176.19 1.968 58 170.44 1.904 150 170.00 1.899 140 169.13 1.889 86 168.75 1.885 89 167.38 1.869 63 163.00 1.821 235 161.94 1.809 143 160.44 1.792 102 158.63 1.772 42 157.63 1.761 46 156.19 1.744 205 155.38 1.735 210 153.81 1.718 56 153.56 1.715 56 153.19 1.711 58 149.06 1.665 90 148.44 1.658 75 145.38 1.624 76 139.38 1.557 90 138.56 1.548 96 137.69 1.538 144 136.38 1.523 79 135.38 1.512 37 135.00 1.508 33 134.06 1.497 48 132.81 1.483 104 132.13 1.476 122 131.19 1.465 173 130.06 1.453 176 128.81 1.439 66 127.00 1.419 55 125.56 1.402 141 123.31 1.377 194 120.31 1.344 39 119.25 1.332 61 116.69 1.303 150 116.00 1.296 121 115.13 1.286 39 112.81 1.260 43 110.38 1.233 74 90.31 1.009 292 89.38 0.998 488 85.63 0.957 37 82.69 0.924 877 79.00 0.883 51 76.69 0.857 117 76.25 0.852 119 75.31 0.841 217 73.63 0.823 105
in CDCl3
CCl4 solution
liquid film
REACTION WITH NA AT 77K
