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L-5-oxo-1-Phenyl-2-thioxo-4-imidazolidineacetamide
SpectraBase Compound ID KwrkFXqFVEU
InChI InChI=1S/C11H11N3O2S/c12-9(15)6-8-10(16)14(11(17)13-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,15)(H,13,17)
InChIKey ZQGVIKNSDQBZSS-UHFFFAOYSA-N
Mol Weight 249.29 g/mol
Molecular Formula C11H11N3O2S
Exact Mass 249.057198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K6ILP1vrTtg
Name L-5-oxo-1-Phenyl-2-thioxo-4-imidazolidineacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.057197778 u
Formula C11H11N3O2S
InChI InChI=1S/C11H11N3O2S/c12-9(15)6-8-10(16)14(11(17)13-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,15)(H,13,17)
InChIKey ZQGVIKNSDQBZSS-UHFFFAOYSA-N
Molecular Weight 249.288 g/mol
SMILES C(C1NC(N(C1=O)C1=CC=CC=C1)=S)C(=O)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983349