1,6-Dichlorohexane(2163-00-0) 13C NMR
Product Name1,6-Dichlorohexane
CAS2163-00-0
Molecular FormulaC6H12Cl2
Molecular Weight155.07
InChIInChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey OVISMSJCKCDOPU-UHFFFAOYSA-N
SmilesC(Cl)CCCCCCl
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MassMS-NW-1037 1,6-dichlorohexane C6H12Cl2 (Mass of molecular ion: 154)
Source Temperature: 250 °C Sample Temperature: 130 °C Reservoir, 75 eV
15.0 1.0 18.0 4.4 26.0 2.8 27.0 28.0 28.0 3.9 29.0 20.4 36.0 1.2 38.0 1.6 39.0 20.8 40.0 3.6 41.0 82.0 42.0 29.0 43.0 15.3 49.0 8.0 50.0 1.2 51.0 2.6 53.0 7.7 54.0 13.2 55.0 100.0 56.0 49.1 57.0 2.7 61.0 1.1 62.0 3.1 63.0 9.6 64.0 1.2 65.0 3.0 67.0 38.2 68.0 3.5 69.0 69.0 70.0 3.9 75.0 3.2 76.0 6.1 77.0 3.8 78.0 2.0 79.0 1.5 80.0 2.0 81.0 6.2 82.0 65.7 83.0 17.3 84.0 1.1 89.0 1.3 90.0 14.4 91.0 12.9 92.0 4.9 93.0 4.0 118.0 6.1 120.0 2.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 Cl2 0.04 ml : 0.5 ml CDCl3 1,6-dichlorohexane 
Assign. Shift(ppm)
A 3.536 B 1.80 C 1.49
Hz ppm Int.323.88 3.617 374 317.44 3.545 1000 310.94 3.472 602 161.25 1.801 192 160.38 1.791 195 154.75 1.728 179 139.56 1.559 163 137.94 1.541 227 135.00 1.508 206 133.81 1.495 200 132.44 1.479 206 131.44 1.468 225 130.75 1.460 198 129.56 1.447 162 128.31 1.433 132 127.06 1.419 154
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
