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Methyl 2-phenyl-2-[(ethoxycarbonylmethyl)thio]-4-pentenoate

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Methyl 2-phenyl-2-[(ethoxycarbonylmethyl)thio]-4-pentenoate
SpectraBase Compound ID Lmg6vYhpSQ1
InChI InChI=1S/C16H20O4S/c1-4-11-16(15(18)19-3,13-9-7-6-8-10-13)21-12-14(17)20-5-2/h4,6-10H,1,5,11-12H2,2-3H3
InChIKey MUKOKNLGTGVPDO-UHFFFAOYSA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LcpOUQYnc58
Name Methyl 2-phenyl-2-[(ethoxycarbonylmethyl)thio]-4-pentenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.108230294 u
Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-4-11-16(15(18)19-3,13-9-7-6-8-10-13)21-12-14(17)20-5-2/h4,6-10H,1,5,11-12H2,2-3H3
InChIKey MUKOKNLGTGVPDO-UHFFFAOYSA-N
Molecular Weight 308.392 g/mol
SMILES C(C(=O)OC)(C1=CC=CC=C1)(SCC(=O)OCC)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858652