Trans-[(2,3-diphenylcyclopropyl)methyl] phenyl sulfide

SpectraBase Compound ID	DYsp3zMADgx
InChI	InChI=1S/C22H20S/c1-4-10-17(11-5-1)21-20(16-23-19-14-8-3-9-15-19)22(21)18-12-6-2-7-13-18/h1-15,20-22H,16H2
InChIKey	JLZFYFPAPFUCPL-UHFFFAOYSA-N Google Search
Mol Weight	316.46 g/mol
Molecular Formula	C22H20S
Exact Mass	316.128572 g/mol

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SpectraBase Spectrum ID	JGfg9KyBCcO
Name	Trans-[(2,3-diphenylcyclopropyl)methyl] phenyl sulfide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	316.128571818 u
Formula	C22H20S
InChI	InChI=1S/C22H20S/c1-4-10-17(11-5-1)21-20(16-23-19-14-8-3-9-15-19)22(21)18-12-6-2-7-13-18/h1-15,20-22H,16H2
InChIKey	JLZFYFPAPFUCPL-UHFFFAOYSA-N
Molecular Weight	316.462 g/mol
SMILES	C1(C(C2=CC=CC=C2)C1CSC1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.973491