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1,3-Dithiane-2-ethanol, .alpha.-ethyl-2-(1-methylethyl)-

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

1,3-Dithiane-2-ethanol, .alpha.-ethyl-2-(1-methylethyl)-
SpectraBase Compound ID cOkZol6922
InChI InChI=1S/C11H22OS2/c1-4-10(12)8-11(9(2)3)13-6-5-7-14-11/h9-10,12H,4-8H2,1-3H3
InChIKey YHVRYAWWHFKPSK-UHFFFAOYSA-N
Mol Weight 234.42 g/mol
Molecular Formula C11H22OS2
Exact Mass 234.111208 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K5tzaHN2JAO
Name 1,3-Dithiane-2-ethanol, .alpha.-ethyl-2-(1-methylethyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.111207675 u
Formula C11H22OS2
InChI InChI=1S/C11H22OS2/c1-4-10(12)8-11(9(2)3)13-6-5-7-14-11/h9-10,12H,4-8H2,1-3H3
InChIKey YHVRYAWWHFKPSK-UHFFFAOYSA-N
Molecular Weight 234.416 g/mol
SMILES C1(CC(O)CC)(SCCCS1)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892879