For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(3,3-Diethoxypropylthio)methylbenzene

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

(3,3-Diethoxypropylthio)methylbenzene
SpectraBase Compound ID E5A1aYCyJmK
InChI InChI=1S/C14H22O2S/c1-3-15-14(16-4-2)10-11-17-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKey JHKVXFXCLOLIDI-UHFFFAOYSA-N
Mol Weight 254.39 g/mol
Molecular Formula C14H22O2S
Exact Mass 254.134051 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KWzrRBZlkGj
Name (3,3-Diethoxypropylthio)methylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.134051120 u
Formula C14H22O2S
InChI InChI=1S/C14H22O2S/c1-3-15-14(16-4-2)10-11-17-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKey JHKVXFXCLOLIDI-UHFFFAOYSA-N
Molecular Weight 254.388 g/mol
SMILES C(C(OCC)OCC)CSCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972052