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Ethyl (E)-5-(2-ethoxycarbonylmethyl-1,3-dithian-2-yl)-pent-2-enoate

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

Ethyl (E)-5-(2-ethoxycarbonylmethyl-1,3-dithian-2-yl)-pent-2-enoate
SpectraBase Compound ID HhujP7v4Bdj
InChI InChI=1S/C15H24O4S2/c1-3-18-13(16)8-5-6-9-15(12-14(17)19-4-2)20-10-7-11-21-15/h5,8H,3-4,6-7,9-12H2,1-2H3/b8-5+
InChIKey ITMNBFMBYNNNJU-VMPITWQZSA-N
Mol Weight 332.47 g/mol
Molecular Formula C15H24O4S2
Exact Mass 332.111602 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F5cA4VYpi8I
Name Ethyl (E)-5-(2-ethoxycarbonylmethyl-1,3-dithian-2-yl)-pent-2-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.111601597 u
Formula C15H24O4S2
InChI InChI=1S/C15H24O4S2/c1-3-18-13(16)8-5-6-9-15(12-14(17)19-4-2)20-10-7-11-21-15/h5,8H,3-4,6-7,9-12H2,1-2H3/b8-5+
InChIKey ITMNBFMBYNNNJU-VMPITWQZSA-N
Molecular Weight 332.473 g/mol
SMILES C1SC(SCC1)(CC(=O)OCC)CC\C=C\C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851961