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Pyrazolidine-3,5-dione, 1,2-diphenyl-4-methylthioethyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Pyrazolidine-3,5-dione, 1,2-diphenyl-4-methylthioethyl-
SpectraBase Compound ID IFySC8PmrZY
InChI InChI=1S/C18H18N2O2S/c1-23-13-12-16-17(21)19(14-8-4-2-5-9-14)20(18(16)22)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3
InChIKey KRIKNPNYONBUKG-UHFFFAOYSA-N
Mol Weight 326.41 g/mol
Molecular Formula C18H18N2O2S
Exact Mass 326.108899 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HXIadw03YtN
Name Pyrazolidine-3,5-dione, 1,2-diphenyl-4-methylthioethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.108899000 u
Formula C18H18N2O2S
InChI InChI=1S/C18H18N2O2S/c1-23-13-12-16-17(21)19(14-8-4-2-5-9-14)20(18(16)22)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3
InChIKey KRIKNPNYONBUKG-UHFFFAOYSA-N
Molecular Weight 326.414 g/mol
SMILES C1(C(N(C2=CC=CC=C2)N(C1=O)C1=CC=CC=C1)=O)CCSC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868477