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1,3-Dithiane, 2-(3-hydroxypentyl)-2-(3-hydroxypropyl)-

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

1,3-Dithiane, 2-(3-hydroxypentyl)-2-(3-hydroxypropyl)-
SpectraBase Compound ID HStIbBYgIt
InChI InChI=1S/C12H24O2S2/c1-2-11(14)5-7-12(6-3-8-13)15-9-4-10-16-12/h11,13-14H,2-10H2,1H3
InChIKey FWNIIKDZZATSSB-UHFFFAOYSA-N
Mol Weight 264.44 g/mol
Molecular Formula C12H24O2S2
Exact Mass 264.121772 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7Cagb5calaH
Name 1,3-Dithiane, 2-(3-hydroxypentyl)-2-(3-hydroxypropyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.121772359 u
Formula C12H24O2S2
InChI InChI=1S/C12H24O2S2/c1-2-11(14)5-7-12(6-3-8-13)15-9-4-10-16-12/h11,13-14H,2-10H2,1H3
InChIKey FWNIIKDZZATSSB-UHFFFAOYSA-N
Molecular Weight 264.442 g/mol
SMILES C(O)(CCC1(SCCCS1)CCCO)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890253