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2-(2-Propenyl-6-heptendien-1-yl)-1,3-dithiane

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

2-(2-Propenyl-6-heptendien-1-yl)-1,3-dithiane
SpectraBase Compound ID hEVQ0S29ES
InChI InChI=1S/C14H22S2/c1-3-5-6-9-13(8-4-2)12-14-15-10-7-11-16-14/h3-4,12-13H,1-2,5-11H2
InChIKey MRIFFLVVAXIQEU-UHFFFAOYSA-N
Mol Weight 254.45 g/mol
Molecular Formula C14H22S2
Exact Mass 254.116293 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7orVa12BBi7
Name 2-(2-Propenyl-6-heptendien-1-yl)-1,3-dithiane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.116293056 u
Formula C14H22S2
InChI InChI=1S/C14H22S2/c1-3-5-6-9-13(8-4-2)12-14-15-10-7-11-16-14/h3-4,12-13H,1-2,5-11H2
InChIKey MRIFFLVVAXIQEU-UHFFFAOYSA-N
Molecular Weight 254.450 g/mol
SMILES C1(SCCCS1)=CC(CC=C)CCCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884726