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2-(2-Hydroxypropyl)-2-(1,3-pentadienyl)-1,3-dithiane

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

2-(2-Hydroxypropyl)-2-(1,3-pentadienyl)-1,3-dithiane
SpectraBase Compound ID 2dNDiA3ORAr
InChI InChI=1S/C12H20OS2/c1-3-4-5-7-12(10-11(2)13)14-8-6-9-15-12/h3-5,7,11,13H,6,8-10H2,1-2H3/b4-3+,7-5+
InChIKey KNDVSPIUZTWZEK-BDWKERMESA-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 3gy7zBWhlK2
Name 2-(2-Hydroxypropyl)-2-(1,3-pentadienyl)-1,3-dithiane
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/c1-3-4-5-7-12(10-11(2)13)14-8-6-9-15-12/h3-5,7,11,13H,6,8-10H2,1-2H3/b4-3+,7-5+
InChIKey KNDVSPIUZTWZEK-BDWKERMESA-N
Molecular Weight 244.411 g/mol
SMILES C1(CC(O)C)(SCCCS1)\C=C\C=C\C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937573