2-Iodobenzyl alcohol(5159-41-1) MS
Product Name2-Iodobenzyl alcohol
CAS5159-41-1
Molecular FormulaC7H7IO
Molecular Weight234.03
InChIInChI=1S/C7H7IO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey WZCXOBMFBKSSFA-UHFFFAOYSA-N
SmilesC1(CO)=CC=CC=C1I
-
MassMS-NW-6613 o-iodobenzyl alcohol C7H7IO (Mass of molecular ion: 234)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.5 27.0 5.0 28.0 1.5 29.0 4.6 31.0 3.3 37.0 2.1 38.0 3.2 39.0 9.3 40.0 1.0 49.0 1.7 50.0 17.0 51.0 23.5 52.0 7.0 53.0 5.1 61.0 1.6 62.0 3.8 63.0 6.7 64.0 1.7 73.0 1.3 74.0 6.1 75.0 4.5 76.0 11.5 77.0 59.1 78.0 42.5 79.0 72.2 80.0 4.9 89.0 9.0 90.0 8.2 91.0 1.5 104.0 1.6 105.0 34.8 106.0 5.6 107.0 37.2 108.0 3.4 127.0 5.9 128.0 2.8 203.0 3.3 205.0 2.1 217.0 3.3 218.0 1.1 231.0 1.9 232.0 1.2 233.0 5.8 234.0 100.0 235.0 8.0
90 MHz in CDCl3
-
1H NMR 89.56 MHz C7 H7 I O 0.039 g : 0.5 ml CDCl3 o-iodobenzyl alcohol 
Assign. Shift(ppm)
A 7.804 B 7.44 C 7.35 D 6.98 E 4.649 F 2.15
Hz ppm Int.703.50 7.856 158 702.44 7.844 140 695.88 7.770 178 694.81 7.759 188 664.50 7.420 343 663.38 7.408 319 662.88 7.402 252 662.38 7.396 240 657.94 7.347 220 656.75 7.334 205 649.19 7.249 161 633.06 7.069 112 630.50 7.040 96 626.44 6.995 85 625.25 6.982 97 623.88 6.967 86 416.44 4.650 1000 192.81 2.153 325
in CDCl3
KBr disc
nujol mull
