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3-Phenyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one

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

3-Phenyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one
SpectraBase Compound ID 18UFGHYxObi
InChI InChI=1S/C15H11N3OS/c19-14-13(9-11-5-4-8-16-10-11)17-15(20)18(14)12-6-2-1-3-7-12/h1-10H,(H,17,20)/b13-9-
InChIKey ZBLKGKCJHRJOTA-LCYFTJDESA-N
Mol Weight 281.33 g/mol
Molecular Formula C15H11N3OS
Exact Mass 281.062283 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Nkg5SqHQek
Name 3-Phenyl-5-(pyridin-3-ylmethylidene)-2-thioxoimidazolidin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.062283159 u
Formula C15H11N3OS
InChI InChI=1S/C15H11N3OS/c19-14-13(9-11-5-4-8-16-10-11)17-15(20)18(14)12-6-2-1-3-7-12/h1-10H,(H,17,20)/b13-9-
InChIKey ZBLKGKCJHRJOTA-LCYFTJDESA-N
SMILES C1(\C(NC(N1C1=CC=CC=C1)=S)=C\C1=CN=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823089