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3-(4-Methylanilinomethyl)-5-benzylidene-2,4-thiazolidinedione

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

3-(4-Methylanilinomethyl)-5-benzylidene-2,4-thiazolidinedione
SpectraBase Compound ID 4LWOQdFa6Os
InChI InChI=1S/C18H16N2O2S/c1-13-7-9-15(10-8-13)19-12-20-17(21)16(23-18(20)22)11-14-5-3-2-4-6-14/h2-11,19H,12H2,1H3/b16-11+
InChIKey BSWDFFAEDGCCHJ-LFIBNONCSA-N
Mol Weight 324.4 g/mol
Molecular Formula C18H16N2O2S
Exact Mass 324.093249 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6ENFJz9ypxn
Name 3-(4-Methylanilinomethyl)-5-benzylidene-2,4-thiazolidinedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.093248935 u
Formula C18H16N2O2S
InChI InChI=1S/C18H16N2O2S/c1-13-7-9-15(10-8-13)19-12-20-17(21)16(23-18(20)22)11-14-5-3-2-4-6-14/h2-11,19H,12H2,1H3/b16-11+
InChIKey BSWDFFAEDGCCHJ-LFIBNONCSA-N
SMILES N(CN1C(\C(SC1=O)=C/c1ccccc1)=O)c1ccc(cc1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964729