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Spiro[indene-2,2'-[1,3]oxathiolane]-1,3,5'-trione

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Spiro[indene-2,2'-[1,3]oxathiolane]-1,3,5'-trione
SpectraBase Compound ID 54tLmREe3WW
InChI InChI=1S/C11H6O4S/c12-8-5-16-11(15-8)9(13)6-3-1-2-4-7(6)10(11)14/h1-4H,5H2
InChIKey IDBFDEXFEPRMGA-UHFFFAOYSA-N
Mol Weight 234.22 g/mol
Molecular Formula C11H6O4S
Exact Mass 233.99868 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5KwEzir2fzj
Name Spiro[indene-2,2'-[1,3]oxathiolane]-1,3,5'-trione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.998679843 u
Formula C11H6O4S
InChI InChI=1S/C11H6O4S/c12-8-5-16-11(15-8)9(13)6-3-1-2-4-7(6)10(11)14/h1-4H,5H2
InChIKey IDBFDEXFEPRMGA-UHFFFAOYSA-N
Molecular Weight 234.225 g/mol
SMILES C1=CC=C2C(=C1)C(C1(C2=O)OC(=O)CS1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941393