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2,5-Pyrrolidinedione, 1-phenyl-3-[(phenylmethyl)thio]-

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

2,5-Pyrrolidinedione, 1-phenyl-3-[(phenylmethyl)thio]-
SpectraBase Compound ID LOFXmBPjVT3
InChI InChI=1S/C17H15NO2S/c19-16-11-15(21-12-13-7-3-1-4-8-13)17(20)18(16)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKey QRQXZXNCDCQSBL-UHFFFAOYSA-N
Mol Weight 297.37 g/mol
Molecular Formula C17H15NO2S
Exact Mass 297.08235 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ilq2amcxSHW
Name 2,5-Pyrrolidinedione, 1-phenyl-3-[(phenylmethyl)thio]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.082349899 u
Formula C17H15NO2S
InChI InChI=1S/C17H15NO2S/c19-16-11-15(21-12-13-7-3-1-4-8-13)17(20)18(16)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKey QRQXZXNCDCQSBL-UHFFFAOYSA-N
SMILES C1(=O)CC(SCC2=CC=CC=C2)C(N1C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858315