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2-[1,3]Dithian-2-yl-1-methyl-3-methylenecyclohexanol

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-[1,3]Dithian-2-yl-1-methyl-3-methylenecyclohexanol
SpectraBase Compound ID 6fPhemRVPvC
InChI InChI=1S/C12H20OS2/c1-9-5-3-6-12(2,13)10(9)11-14-7-4-8-15-11/h10-11,13H,1,3-8H2,2H3
InChIKey LSIOYQZYZOOALV-UHFFFAOYSA-N
Mol Weight 244.41 g/mol
Molecular Formula C12H20OS2
Exact Mass 244.095558 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LSim5SYssB5
Name 2-[1,3]Dithian-2-yl-1-methyl-3-methylenecyclohexanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.095557611 u
Formula C12H20OS2
InChI InChI=1S/C12H20OS2/c1-9-5-3-6-12(2,13)10(9)11-14-7-4-8-15-11/h10-11,13H,1,3-8H2,2H3
InChIKey LSIOYQZYZOOALV-UHFFFAOYSA-N
Molecular Weight 244.411 g/mol
SMILES C=C1CCCC(C1C1SCCCS1)(C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887313