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Ethyl .alpha.-carbethoxy-.beta.-[2-pyridylthio]-acrylate

View entire compound with spectra: 1 FTIR

Ethyl .alpha.-carbethoxy-.beta.-[2-pyridylthio]-acrylate
SpectraBase Compound ID KWzyB2OqF7e
InChI InChI=1S/C13H15NO4S/c1-3-17-12(15)10(13(16)18-4-2)9-19-11-7-5-6-8-14-11/h5-9H,3-4H2,1-2H3
InChIKey ZMZBUFHGGSWJFT-UHFFFAOYSA-N
Mol Weight 281.33 g/mol
Molecular Formula C13H15NO4S
Exact Mass 281.072179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DGYF3B3edGu
Name Ethyl .alpha.-carbethoxy-.beta.-[2-pyridylthio]-acrylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.072179137 u
Formula C13H15NO4S
InChI InChI=1S/C13H15NO4S/c1-3-17-12(15)10(13(16)18-4-2)9-19-11-7-5-6-8-14-11/h5-9H,3-4H2,1-2H3
InChIKey ZMZBUFHGGSWJFT-UHFFFAOYSA-N
SMILES C(OCC)(C(=CSC1=NC=CC=C1)C(=O)OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954948