1,6-Hexanedithiol(1191-43-1) Raman
Product Name1,6-Hexanedithiol
CAS1191-43-1
Molecular FormulaC6H14S2
Molecular Weight150.31
InChIInChI=1S/C6H14S2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
InChIKey SRZXCOWFGPICGA-UHFFFAOYSA-N
SmilesC(S)CCCCCS
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MassMS-NW-3799 1,6-hexanedithiol C6H14S2 (Mass of molecular ion: 150)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.1 26.0 1.3 27.0 18.1 28.0 2.2 29.0 11.3 33.0 1.2 34.0 2.2 35.0 5.6 39.0 14.5 40.0 2.2 41.0 60.8 42.0 8.1 43.0 7.3 44.0 1.5 45.0 13.7 46.0 8.6 47.0 50.8 48.0 1.9 49.0 2.4 51.0 1.0 53.0 5.5 54.0 31.3 55.0 64.8 56.0 5.7 57.0 2.4 58.0 2.1 59.0 5.6 60.0 26.9 61.0 27.6 62.0 2.4 63.0 1.4 67.0 42.3 68.0 4.9 69.0 14.9 70.0 2.7 73.0 8.6 74.0 4.9 75.0 3.9 79.0 1.2 81.0 5.5 82.0 27.0 83.0 26.3 84.0 2.0 85.0 1.0 86.0 1.1 87.0 100.0 88.0 10.0 89.0 5.8 101.0 10.4 103.0 1.1 115.0 1.9 116.0 41.8 117.0 6.3 118.0 2.4 150.0 7.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H14 S2 0.04 ml : 0.5 ml CDCl3 1,6-hexanedithiol 
Assign. Shift(ppm)
A 2.517 B 1.62 C 1.46 D 1.346
Hz ppm Int.237.56 2.653 111 236.63 2.643 123 229.94 2.568 479 223.31 2.494 518 222.69 2.487 508 216.06 2.413 234 215.38 2.405 268 158.50 1.770 51 157.38 1.758 48 152.06 1.698 158 150.69 1.683 147 148.31 1.656 135 146.06 1.631 215 144.56 1.615 220 143.19 1.599 213 140.13 1.565 214 137.75 1.539 244 132.63 1.481 331 130.50 1.458 428 128.69 1.437 384 127.38 1.423 1000 125.69 1.404 300 119.88 1.339 885 119.44 1.334 824 116.44 1.301 86 114.25 1.276 55 111.94 1.250 583
in CDCl3
liquid film
