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5-Piperonylidene-2-thio-2,4-oxazolidinedione
SpectraBase Compound ID JDy8PH5vS4n
InChI InChI=1S/C11H7NO4S/c13-10-9(16-11(17)12-10)4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H,12,13,17)/b9-4+
InChIKey DFFPBCGZNPJKGW-RUDMXATFSA-N
Mol Weight 249.24 g/mol
Molecular Formula C11H7NO4S
Exact Mass 249.009579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7tTU188a1np
Name 5-Piperonylidene-2-thio-2,4-oxazolidinedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.009578879 u
Formula C11H7NO4S
InChI InChI=1S/C11H7NO4S/c13-10-9(16-11(17)12-10)4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H,12,13,17)/b9-4+
InChIKey DFFPBCGZNPJKGW-RUDMXATFSA-N
Molecular Weight 249.240 g/mol
SMILES C1(\C=C\2OC(=S)NC2=O)=CC2=C(OCO2)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935654