bis[2-(6-Methoxy-2-naphthyl)ethynyl] sulfide

SpectraBase Compound ID	3YUxaOGOltj
InChI	InChI=1S/C26H18O2S/c1-27-25-9-7-21-15-19(3-5-23(21)17-25)11-13-29-14-12-20-4-6-24-18-26(28-2)10-8-22(24)16-20/h3-10,15-18H,1-2H3
InChIKey	RNVYZSMWTZWPJJ-UHFFFAOYSA-N Google Search
Mol Weight	394.49 g/mol
Molecular Formula	C26H18O2S
Exact Mass	394.102751 g/mol

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SpectraBase Spectrum ID	5FBHSpqLLrt
Name	bis[2-(6-Methoxy-2-naphthyl)ethynyl] sulfide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	394.102750992 u
Formula	C26H18O2S
InChI	InChI=1S/C26H18O2S/c1-27-25-9-7-21-15-19(3-5-23(21)17-25)11-13-29-14-12-20-4-6-24-18-26(28-2)10-8-22(24)16-20/h3-10,15-18H,1-2H3
InChIKey	RNVYZSMWTZWPJJ-UHFFFAOYSA-N
Molecular Weight	394.488 g/mol
SMILES	C(#CC1=CC2=CC=C(C=C2C=C1)OC)SC#CC1=CC2=CC=C(C=C2C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.950175