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Ethanedione, 1-phenyl-2-phenylsulfonyl-, 2-(4-methylphenylhydrazone)
SpectraBase Compound ID 7GjvFj9tBTA
InChI InChI=1S/C21H18N2O3S/c1-16-12-14-18(15-13-16)22-23-21(20(24)17-8-4-2-5-9-17)27(25,26)19-10-6-3-7-11-19/h2-15,22H,1H3/b23-21+
InChIKey ZGMUBHLSEXLCJT-XTQSDGFTSA-N
Mol Weight 378.45 g/mol
Molecular Formula C21H18N2O3S
Exact Mass 378.103814 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L5TMHKD28i3
Name Ethanedione, 1-phenyl-2-phenylsulfonyl-, 2-(4-methylphenylhydrazone)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.103813619 u
Formula C21H18N2O3S
InChI InChI=1S/C21H18N2O3S/c1-16-12-14-18(15-13-16)22-23-21(20(24)17-8-4-2-5-9-17)27(25,26)19-10-6-3-7-11-19/h2-15,22H,1H3/b23-21+
InChIKey ZGMUBHLSEXLCJT-XTQSDGFTSA-N
Molecular Weight 378.446 g/mol
SMILES C1=CC=CC(=C1)S(\C(C(C1=CC=CC=C1)=O)=N/NC1=CC=C(C)C=C1)(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936371