Molecular FormulaC5H10S
Molecular Weight102.2
InChIInChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2
InChIKey YPWFISCTZQNZAU-UHFFFAOYSA-N
SmilesC1SCCCC1
Mass
MS-NW-4932 thiane C5H10S (Mass of molecular ion: 102)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.0 26.0 3.5 27.0 22.8 28.0 5.7 29.0 15.0 34.0 1.2 35.0 3.6 37.0 1.1 38.0 2.2 39.0 24.7 40.0 6.5 41.0 51.4 42.0 5.7 43.0 1.5 44.0 2.0 45.0 28.5 46.0 37.5 47.0 22.2 48.0 2.7 49.0 1.4 50.0 1.8 51.0 1.3 53.0 13.0 54.0 12.7 55.0 40.4 56.0 15.0 57.0 1.3 58.0 4.7 59.0 17.6 60.0 42.4 61.0 60.7 62.0 3.7 63.0 2.8 65.0 1.7 66.0 1.5 67.0 46.8 68.0 77.7 69.0 17.4 70.0 1.0 71.0 2.0 72.0 1.0 73.0 9.6 74.0 19.4 75.0 1.3 76.0 1.0 85.0 1.7 87.0 87.0 88.0 4.8 89.0 4.4 101.0 8.3 102.0 100.0 103.0 6.9 104.0 5.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C5 H10 S | 0.04 ml : 0.5 ml CDCl3 |
thiane |
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Assign. Shift(ppm) |
Hz ppm Int.
236.88 2.645 720 232.88 2.601 965 227.25 2.538 1000 173.06 1.933 269 167.69 1.873 585 163.00 1.821 964 151.88 1.696 780 145.13 1.621 508 137.00 1.530 311
in CDCl3
liquid film
Thiane(1613-51-0) Raman Atlas of Related Products
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