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p-Tolylglyoxal, 1-(di-p-tolyl mercaptal)

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

p-Tolylglyoxal, 1-(di-p-tolyl mercaptal)
SpectraBase Compound ID 34AaztrktRI
InChI InChI=1S/C23H22OS2/c1-16-4-10-19(11-5-16)22(24)23(25-20-12-6-17(2)7-13-20)26-21-14-8-18(3)9-15-21/h4-15,23H,1-3H3
InChIKey UWDKYGKVZVUVSE-UHFFFAOYSA-N
Mol Weight 378.55 g/mol
Molecular Formula C23H22OS2
Exact Mass 378.111208 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GhUmLf3E0zu
Name p-Tolylglyoxal, 1-(di-p-tolyl mercaptal)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.111207675 u
Formula C23H22OS2
InChI InChI=1S/C23H22OS2/c1-16-4-10-19(11-5-16)22(24)23(25-20-12-6-17(2)7-13-20)26-21-14-8-18(3)9-15-21/h4-15,23H,1-3H3
InChIKey UWDKYGKVZVUVSE-UHFFFAOYSA-N
Molecular Weight 378.548 g/mol
SMILES C=1C(=CC=C(C1)C)C(C(SC=1C=CC(=CC1)C)SC1=CC=C(C=C1)C)=O
Spectrum/Structure Validation Score (Raman) 0.988888