1,8-DIIODOOCTANE(24772-63-2) MS
Product Name1,8-DIIODOOCTANE
CAS24772-63-2
Molecular FormulaC8H16I2
Molecular Weight366.02
InChIInChI=1S/C8H16I2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
InChIKey KZDTZHQLABJVLE-UHFFFAOYSA-N
SmilesC(I)CCCCCCCI
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MassMS-NW-7537 1,8-diiodooctane C8H16I2 (Mass of molecular ion: 366)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.4 26.0 2.0 27.0 33.5 28.0 5.6 29.0 29.9 38.0 1.1 39.0 24.9 40.0 4.6 41.0 100.0 42.0 11.8 43.0 43.4 44.0 1.6 51.0 1.8 52.0 1.0 53.0 6.7 54.0 3.6 55.0 87.7 56.0 9.7 57.0 29.2 58.0 1.3 67.0 4.4 68.0 1.2 69.0 82.5 70.0 5.4 71.0 13.8 81.0 1.5 83.0 6.8 111.0 47.9 112.0 4.7 127.0 4.3 128.0 3.4 141.0 2.7 155.0 33.8 156.0 1.0 169.0 17.8 183.0 24.9 184.0 1.3 197.0 16.7 198.0 1.1 211.0 1.3 239.0 23.5 240.0 2.4 366.0 9.6 367.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 I2 0.05 ml : 0.5 ml CDCl3 1,8-diiodooctane 
Assign. Shift(ppm)
A 3.176 B 1.80 C 1.39 D 1.31
Hz ppm Int.292.31 3.264 395 289.75 3.236 84 285.44 3.188 1000 281.69 3.146 97 281.44 3.143 97 278.56 3.111 596 176.63 1.973 46 175.06 1.955 59 169.81 1.897 161 168.56 1.883 154 166.69 1.862 155 162.88 1.819 256 159.19 1.778 169 156.50 1.748 213 151.81 1.696 99 150.44 1.680 95 150.13 1.677 93 149.81 1.673 93 147.75 1.650 65 146.81 1.640 57 145.94 1.630 51 145.63 1.627 50 144.75 1.617 47 144.31 1.612 47 143.88 1.607 47 143.19 1.599 48 142.19 1.588 50 141.75 1.583 52 141.31 1.578 50 140.38 1.568 53 139.50 1.558 56 139.00 1.553 57 138.69 1.549 56 138.00 1.541 59 137.38 1.534 61 136.38 1.523 66 131.06 1.464 144 120.44 1.345 862 117.81 1.316 731 108.63 1.213 70 107.13 1.197 56
in CDCl3
liquid film
