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Methyl 3-(methoxycarbonylmethylthio)-2-phenylacrylate

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

Methyl 3-(methoxycarbonylmethylthio)-2-phenylacrylate
SpectraBase Compound ID J2ihxHWV1Ow
InChI InChI=1S/C13H14O4S/c1-16-12(14)9-18-8-11(13(15)17-2)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8+
InChIKey DNPNYUNIFHCBAB-DHZHZOJOSA-N
Mol Weight 266.31 g/mol
Molecular Formula C13H14O4S
Exact Mass 266.06128 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 22p0YjONLUG
Name Methyl 3-(methoxycarbonylmethylthio)-2-phenylacrylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.061280101 u
Formula C13H14O4S
InChI InChI=1S/C13H14O4S/c1-16-12(14)9-18-8-11(13(15)17-2)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8+
InChIKey DNPNYUNIFHCBAB-DHZHZOJOSA-N
SMILES C(\C(=C\SCC(=O)OC)C1=CC=CC=C1)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98102