2-[(2,4,6-Trimethylphenyl)sulfinyl]benzaldehyde dimethyl acetal

SpectraBase Compound ID	APqVIzbcy9R
InChI	InChI=1S/C18H22O3S/c1-12-10-13(2)17(14(3)11-12)22(19)16-9-7-6-8-15(16)18(20-4)21-5/h6-11,18H,1-5H3
InChIKey	SJIYEDUVYOXYNT-UHFFFAOYSA-N Google Search
Mol Weight	318.43 g/mol
Molecular Formula	C18H22O3S
Exact Mass	318.128966 g/mol

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SpectraBase Spectrum ID	Cv7LHEwBTK3
Name	2-[(2,4,6-Trimethylphenyl)sulfinyl]benzaldehyde dimethyl acetal
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	318.128965739 u
Formula	C18H22O3S
InChI	InChI=1S/C18H22O3S/c1-12-10-13(2)17(14(3)11-12)22(19)16-9-7-6-8-15(16)18(20-4)21-5/h6-11,18H,1-5H3
InChIKey	SJIYEDUVYOXYNT-UHFFFAOYSA-N
Molecular Weight	318.431 g/mol
SMILES	C(C=1C(=CC=CC1)S(=O)C=1C(=CC(=CC1C)C)C)(OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.843015