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5-Benzylidene-2-thioxo-3-m-tolylimidazolidin-4-one

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

5-Benzylidene-2-thioxo-3-m-tolylimidazolidin-4-one
SpectraBase Compound ID 77kz2tgmYl2
InChI InChI=1S/C17H14N2OS/c1-12-6-5-9-14(10-12)19-16(20)15(18-17(19)21)11-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,21)/b15-11-
InChIKey FQYFEKWJSHXUAH-PTNGSMBKSA-N
Mol Weight 294.37 g/mol
Molecular Formula C17H14N2OS
Exact Mass 294.082684 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1ENN0yNGaFL
Name 5-Benzylidene-2-thioxo-3-m-tolylimidazolidin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.082684252 u
Formula C17H14N2OS
InChI InChI=1S/C17H14N2OS/c1-12-6-5-9-14(10-12)19-16(20)15(18-17(19)21)11-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,21)/b15-11-
InChIKey FQYFEKWJSHXUAH-PTNGSMBKSA-N
SMILES C1(=O)\C(NC(=S)N1C1=CC=CC(=C1)C)=C\C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852923