1,3,5-TRITHIANE(291-21-4) 1H NMR
Product Name1,3,5-TRITHIANE
CAS291-21-4
Molecular FormulaC3H6S3
Molecular Weight138.27
InChIInChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2
InChIKey LORRLQMLLQLPSJ-UHFFFAOYSA-N
SmilesS1CSCSC1
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MassMS-NW-6848 1,3,5-trithiane C3H6S3 (Mass of molecular ion: 138)
Source Temperature: 260 °C Sample Temperature: 200 °C Direct, 75 eV
27.0 2.1 32.0 1.3 34.0 1.0 44.0 3.8 45.0 46.1 46.0 70.3 47.0 15.5 48.0 3.7 58.0 2.8 59.0 9.2 60.0 14.0 61.0 6.7 62.0 2.9 64.0 17.6 66.0 1.8 73.0 14.5 74.0 2.6 76.0 2.3 77.0 2.4 78.0 3.5 91.0 11.0 92.0 31.0 93.0 3.0 94.0 3.1 105.0 2.5 110.0 5.2 123.0 1.4 138.0 100.0 139.0 6.2 140.0 14.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C3 H6 S3 0.038 g : 0.5 ml DMSO-d6 1,3,5-trithiane 
Assign. Shift(ppm)
A 4.278
Hz ppm Int.1709.72 4.279 1000
in DMSO-d6
KBr disc
nujol mull
