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 |