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5-Piperonyl-2,4-thiazolidinedione

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5-Piperonyl-2,4-thiazolidinedione
SpectraBase Compound ID 94y7npmXmi0
InChI InChI=1S/C11H9NO4S/c13-10-9(17-11(14)12-10)4-6-1-2-7-8(3-6)16-5-15-7/h1-3,9H,4-5H2,(H,12,13,14)
InChIKey HHRIXENBUDKGCX-UHFFFAOYSA-N
Mol Weight 251.26 g/mol
Molecular Formula C11H9NO4S
Exact Mass 251.025229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Laro4Rd0tvY
Name 5-Piperonyl-2,4-thiazolidinedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.025228944 u
Formula C11H9NO4S
InChI InChI=1S/C11H9NO4S/c13-10-9(17-11(14)12-10)4-6-1-2-7-8(3-6)16-5-15-7/h1-3,9H,4-5H2,(H,12,13,14)
InChIKey HHRIXENBUDKGCX-UHFFFAOYSA-N
Molecular Weight 251.256 g/mol
SMILES C1(=CC=C2C(=C1)OCO2)CC1C(=O)NC(S1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882044