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2-(1,3-Dithian-2-ylmethyl)-2-propenoic acid ethyl ester

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

2-(1,3-Dithian-2-ylmethyl)-2-propenoic acid ethyl ester
SpectraBase Compound ID JEk1Sk53SeE
InChI InChI=1S/C10H16O2S2/c1-3-12-10(11)8(2)7-9-13-5-4-6-14-9/h9H,2-7H2,1H3
InChIKey SMSOXGBJUBPVQY-UHFFFAOYSA-N
Mol Weight 232.36 g/mol
Molecular Formula C10H16O2S2
Exact Mass 232.059172 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9lPHyUQG5Ys
Name 2-(1,3-Dithian-2-ylmethyl)-2-propenoic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.059172101 u
Formula C10H16O2S2
InChI InChI=1S/C10H16O2S2/c1-3-12-10(11)8(2)7-9-13-5-4-6-14-9/h9H,2-7H2,1H3
InChIKey SMSOXGBJUBPVQY-UHFFFAOYSA-N
Molecular Weight 232.356 g/mol
SMILES C(C(=O)OCC)(CC1SCCCS1)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92458