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2-(1,3-Dithian-2-ylmethyl)-1,1-diethoxyhexan-2-ol

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

2-(1,3-Dithian-2-ylmethyl)-1,1-diethoxyhexan-2-ol
SpectraBase Compound ID 4E3oAB6LT0G
InChI InChI=1S/C15H30O3S2/c1-4-7-9-15(16,14(17-5-2)18-6-3)12-13-19-10-8-11-20-13/h13-14,16H,4-12H2,1-3H3
InChIKey HZMOVRWCGOIJKE-UHFFFAOYSA-N
Mol Weight 322.52 g/mol
Molecular Formula C15H30O3S2
Exact Mass 322.163637 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HQO2aV8P3ir
Name 2-(1,3-Dithian-2-ylmethyl)-1,1-diethoxyhexan-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.163637171 u
Formula C15H30O3S2
InChI InChI=1S/C15H30O3S2/c1-4-7-9-15(16,14(17-5-2)18-6-3)12-13-19-10-8-11-20-13/h13-14,16H,4-12H2,1-3H3
InChIKey HZMOVRWCGOIJKE-UHFFFAOYSA-N
Molecular Weight 322.522 g/mol
SMILES C(CCC)C(C(OCC)OCC)(CC1SCCCS1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807777