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2-(Ethoxycarbonyl)ethyl hex-3-en-1-yl sulfide

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

2-(Ethoxycarbonyl)ethyl hex-3-en-1-yl sulfide
SpectraBase Compound ID 7BCLp1zgt6h
InChI InChI=1S/C11H20O2S/c1-3-5-6-7-9-14-10-8-11(12)13-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+
InChIKey NSUXHIBTNLXYTG-AATRIKPKSA-N
Mol Weight 216.34 g/mol
Molecular Formula C11H20O2S
Exact Mass 216.118401 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6S113e4nxH3
Name 2-(Ethoxycarbonyl)ethyl hex-3-en-1-yl sulfide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.118401056 u
Formula C11H20O2S
InChI InChI=1S/C11H20O2S/c1-3-5-6-7-9-14-10-8-11(12)13-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+
InChIKey NSUXHIBTNLXYTG-AATRIKPKSA-N
Molecular Weight 216.339 g/mol
SMILES C(CCSCC\C=C\CC)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975219