1,6-DIIODOHEXANE(629-09-4) MS
Product Name1,6-DIIODOHEXANE
CAS629-09-4
Molecular FormulaC6H12I2
Molecular Weight337.97
InChIInChI=1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey QLIMAARBRDAYGQ-UHFFFAOYSA-N
SmilesC(I)CCCCCI
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MassMS-IW-8666 1,6-diiodohexane C6H12I2 (Mass of molecular ion: 338)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 17.3 28.0 4.3 29.0 10.8 39.0 11.6 40.0 2.5 41.0 50.4 42.0 5.0 43.0 18.6 53.0 3.4 54.0 2.0 55.0 85.0 56.0 6.9 57.0 4.5 67.0 2.1 69.0 1.0 81.0 4.3 83.0 100.0 84.0 8.1 105.5 1.5 127.0 4.7 128.0 3.9 141.0 3.5 154.0 1.3 155.0 59.5 156.0 1.3 169.0 44.9 170.0 1.4 183.0 11.8 209.0 2.2 210.0 1.8 211.0 89.2 212.0 5.9 254.0 1.5 338.0 38.3 339.0 2.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 I2 0.05 ml : 0.5 ml CDCl3 1,6-diiodohexane 
Assign. Shift(ppm)
A 3.192 B 1.84 C 1.43
Hz ppm Int.292.81 3.270 410 285.94 3.193 1000 279.13 3.117 607 179.63 2.006 36 178.13 1.989 54 176.94 1.976 57 175.81 1.964 65 171.31 1.913 180 170.75 1.907 178 165.00 1.843 252 164.19 1.834 254 158.25 1.767 218 152.69 1.705 95 151.38 1.691 103 148.75 1.661 54 148.44 1.658 53 144.69 1.616 48 143.56 1.603 43 141.06 1.576 64 138.88 1.551 67 133.88 1.495 249 130.56 1.458 277 129.63 1.448 287 127.00 1.419 365 124.25 1.388 216 123.06 1.375 244 120.69 1.348 127 119.50 1.335 128
in CDCl3
liquid film
