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Thiazolidin-4-one, 2-(1,3-benzodioxol-5-yl)-

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

Thiazolidin-4-one, 2-(1,3-benzodioxol-5-yl)-
SpectraBase Compound ID 9pm2R796cU9
InChI InChI=1S/C10H9NO3S/c12-9-4-15-10(11-9)6-1-2-7-8(3-6)14-5-13-7/h1-3,10H,4-5H2,(H,11,12)
InChIKey DKSRUPUYYGWFOH-UHFFFAOYSA-N
Mol Weight 223.25 g/mol
Molecular Formula C10H9NO3S
Exact Mass 223.030314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 16fFJiftO1U
Name Thiazolidin-4-one, 2-(1,3-benzodioxol-5-yl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.030314325 u
Formula C10H9NO3S
InChI InChI=1S/C10H9NO3S/c12-9-4-15-10(11-9)6-1-2-7-8(3-6)14-5-13-7/h1-3,10H,4-5H2,(H,11,12)
InChIKey DKSRUPUYYGWFOH-UHFFFAOYSA-N
Molecular Weight 223.246 g/mol
SMILES C1=C2C(OCO2)=CC(C2NC(=O)CS2)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960497