2-Iodobutane(513-48-4) IR1
Product Name2-Iodobutane
CAS513-48-4
Molecular FormulaC4H9I
Molecular Weight184.02
InChIInChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3
InChIKey IQRUSQUYPCHEKN-UHFFFAOYSA-N
SmilesCC(I)CC
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MassMS-NW-8320 2-iodobutane C4H9I (Mass of molecular ion: 184)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
26.0 1.6 27.0 12.7 28.0 3.9 29.0 53.9 30.0 1.2 39.0 11.1 40.0 1.3 41.0 46.8 42.0 3.4 43.0 1.0 53.0 1.4 55.0 4.4 56.0 2.0 57.0 100.0 58.0 4.5 127.0 3.9 128.0 1.6 184.0 11.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H9 I 0.05 ml : 0.5 ml CDCl3 2-iodobutane 
Assign. Shift(ppm)
A 4.164 B 1.919 C *1 1.810 D *1 1.690 E 1.000
Hz ppm Int.1681.03 4.207 31 1676.03 4.194 38 1674.19 4.190 90 1673.10 4.187 44 1669.19 4.177 97 1667.36 4.173 106 1666.14 4.169 99 1662.35 4.160 99 1661.13 4.157 107 1659.30 4.152 95 1655.40 4.143 41 1654.30 4.140 92 1652.47 4.135 36 1647.46 4.123 30 776.12 1.942 31 775.76 1.942 31 769.04 1.925 1000 762.21 1.908 967 739.87 1.852 69 732.54 1.833 113 725.34 1.815 150 724.73 1.814 124 718.02 1.797 139 717.29 1.795 148 709.96 1.777 115 702.76 1.759 43 694.34 1.738 41 689.33 1.725 46 687.13 1.720 113 682.13 1.707 116 680.05 1.702 135 674.93 1.689 134 672.85 1.684 101 667.85 1.672 96 665.41 1.665 72 660.40 1.653 67 658.33 1.648 30 407.10 1.019 613 399.90 1.001 946 396.61 0.993 44 392.58 0.983 550
in CDCl3
liquid film
REACTION WITH NA AT 77K
