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Ethanone, 2-(acetyloxy)-2-[(4-methylphenyl)thio]-1-phenyl-
SpectraBase Compound ID HbL5LXG4Z40
InChI InChI=1S/C17H16O3S/c1-13-7-9-15(10-8-13)21-17(20-12-11-18)16(19)14-5-3-2-4-6-14/h2-11,17H,12H2,1H3
InChIKey AZMXCHFCCGKYQB-UHFFFAOYSA-N
Mol Weight 300.37 g/mol
Molecular Formula C17H16O3S
Exact Mass 300.082016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HReKqXaJKmo
Name Ethanone, 2-(acetyloxy)-2-[(4-methylphenyl)thio]-1-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.082015546 u
Formula C17H16O3S
InChI InChI=1S/C17H16O3S/c1-13-7-9-15(10-8-13)21-17(20-12-11-18)16(19)14-5-3-2-4-6-14/h2-11,17H,12H2,1H3
InChIKey AZMXCHFCCGKYQB-UHFFFAOYSA-N
SMILES C(C(=O)C1=CC=CC=C1)(SC1=CC=C(C=C1)C)OCC=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939671