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2-Oxo-4-methylthio-5,5-diphenyl-3-imidazoline

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

2-Oxo-4-methylthio-5,5-diphenyl-3-imidazoline
SpectraBase Compound ID JkqRPCayvdL
InChI InChI=1S/C16H14N2OS/c1-20-14-16(18-15(19)17-14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,18,19)
InChIKey PXZVCLYOVPAYET-UHFFFAOYSA-N
Mol Weight 282.36 g/mol
Molecular Formula C16H14N2OS
Exact Mass 282.082684 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HcdjgqBKEHm
Name 2-oxo-4-Methylthio-5,5-diphenyl-3-imidazoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.082684252 u
Formula C16H14N2OS
InChI InChI=1S/C16H14N2OS/c1-20-14-16(18-15(19)17-14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,18,19)
InChIKey PXZVCLYOVPAYET-UHFFFAOYSA-N
SMILES C1=CC=CC=C1C1(C2=CC=CC=C2)NC(N=C1SC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953715