3,6-DITHIAOCTANE(5395-75-5) 13C NMR
Product Name3,6-DITHIAOCTANE
CAS5395-75-5
Molecular FormulaC6H14S2
Molecular Weight150.31
InChIInChI=1S/C6H14S2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3
InChIKey DCXDVGKTBDNYRX-UHFFFAOYSA-N
SmilesC(SCC)CSCC
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MassMS-NW-5796 1,2-bis(ethylthio)ethane C6H14S2 (Mass of molecular ion: 150)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 2.0 26.0 2.6 27.0 21.9 28.0 2.5 29.0 27.4 35.0 7.7 41.0 6.0 44.0 2.1 45.0 11.0 46.0 4.2 47.0 30.6 49.0 1.4 55.0 2.0 58.0 4.6 59.0 12.6 60.0 36.8 61.0 38.4 62.0 8.2 63.0 2.1 64.0 1.5 66.0 1.0 73.0 2.2 75.0 100.0 76.0 4.5 77.0 4.8 88.0 19.4 89.0 57.9 90.0 4.7 91.0 2.8 93.0 8.8 94.0 1.7 121.0 4.7 122.0 3.3 150.0 71.1 151.0 6.1 152.0 6.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H14 S2 0.04 ml : 0.5 ml CDCl3 1,2-bis(ethylthio)ethane 
Assign. Shift(ppm)
A 2.735 B 2.58 C 1.270
Hz ppm Int.244.94 2.735 1000 242.81 2.712 62 242.13 2.704 58 234.94 2.624 182 233.81 2.611 46 228.19 2.548 96 227.50 2.541 220 220.69 2.465 64 220.06 2.458 66 120.75 1.349 209 113.63 1.269 489 113.19 1.264 314 106.00 1.184 155
in CDCl3
liquid film
