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2-[4-Hydroxy-3-(4-methylbenzyl)-4-phenyl-2-thioxo-1,3-thiazolan-5-yliden]-1-phenyl-1-ethanone
SpectraBase Compound ID 1Om1vb1SZb5
InChI InChI=1S/C25H21NO2S2/c1-18-12-14-19(15-13-18)17-26-24(29)30-23(16-22(27)20-8-4-2-5-9-20)25(26,28)21-10-6-3-7-11-21/h2-16,28H,17H2,1H3/b23-16-
InChIKey DNKMMSQYWORMEI-KQWNVCNZSA-N
Mol Weight 431.57 g/mol
Molecular Formula C25H21NO2S2
Exact Mass 431.101371 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EZUMRPTigk1
Name 2-[4-Hydroxy-3-(4-methylbenzyl)-4-phenyl-2-thioxo-1,3-thiazolan-5-yliden]-1-phenyl-1-ethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.101371266 u
Formula C25H21NO2S2
InChI InChI=1S/C25H21NO2S2/c1-18-12-14-19(15-13-18)17-26-24(29)30-23(16-22(27)20-8-4-2-5-9-20)25(26,28)21-10-6-3-7-11-21/h2-16,28H,17H2,1H3/b23-16-
InChIKey DNKMMSQYWORMEI-KQWNVCNZSA-N
Molecular Weight 431.568 g/mol
SMILES C1(N(C(\C(S1)=C\C(=O)C1=CC=CC=C1)(C=1C=CC=CC1)O)CC1=CC=C(C)C=C1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882443