Product Name1,4-Dithiane
CAS505-29-3
Molecular FormulaC4H8S2
Molecular Weight120.24
InChIInChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2
InChIKey LOZWAPSEEHRYPG-UHFFFAOYSA-N
SmilesS1CCSCC1
Mass
MS-NW-6498 1,4-dithiane C4H8S2 (Mass of molecular ion: 120)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 2.9 27.0 10.4 28.0 1.7 35.0 2.2 41.0 1.8 44.0 1.6 45.0 30.7 46.0 68.7 47.0 9.6 48.0 3.4 57.0 2.7 58.0 9.8 59.0 13.3 60.0 29.3 61.0 70.6 62.0 3.1 63.0 3.0 64.0 15.2 66.0 1.7 73.0 12.0 74.0 8.1 75.0 1.1 76.0 1.2 87.0 2.7 91.0 3.4 92.0 21.7 93.0 1.2 94.0 2.0 104.0 1.0 105.0 5.8 120.0 100.0 121.0 6.1 122.0 9.4
parameter in CDCl3
1H NMR | 300 MHz |
C4 H8 S2 | 0.044 g : 0.5 ml CDCl3 |
1,4-dithiane |
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Parameter ppm Hz |
Hz ppm Int.
855.00 2.850 1000
in CDCl3
KBr disc
nujol mull
1,4-Dithiane(505-29-3) Raman Atlas of Related Products
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