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2-[2-(Trifluoromethyl)propyl]-1,3-dithiane
SpectraBase Compound ID IYcttpEsQGU
InChI InChI=1S/C8H13F3S2/c1-6(8(9,10)11)5-7-12-3-2-4-13-7/h6-7H,2-5H2,1H3
InChIKey CAFNRDKDENIXBJ-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C8H13F3S2
Exact Mass 230.041077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ONXdnBgHEe
Name 2-[2-(Trifluoromethyl)propyl]-1,3-dithiane
Comments Less than 3 mono-isotopic peaks
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Formula C8H13F3S2
InChI InChI=1S/C8H13F3S2/c1-6(8(9,10)11)5-7-12-3-2-4-13-7/h6-7H,2-5H2,1H3
InChIKey CAFNRDKDENIXBJ-UHFFFAOYSA-N
Molecular Weight 230.307 g/mol
SMILES C1(SCCCS1)CC(C)C(F)(F)F
SPLASH splash10-014i-0940000000-df5b38bf43348aa7edc2
Source of Spectrum SO-0-967-5
Synonyms 2-(3,3,3-trifluoro-2-methylpropyl)-1,3-dithiane
Wiley ID 1543625