5-Phenyl-6-phenylsulfanylbenz[a]anthracene

SpectraBase Compound ID	DpaykEHbUBX
InChI	InChI=1S/C30H20S/c1-3-11-21(12-4-1)29-26-18-10-9-17-25(26)27-19-22-13-7-8-14-23(22)20-28(27)30(29)31-24-15-5-2-6-16-24/h1-20H
InChIKey	YBPGQEGPXJAWEO-UHFFFAOYSA-N Google Search
Mol Weight	412.55 g/mol
Molecular Formula	C30H20S
Exact Mass	412.128572 g/mol

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SpectraBase Spectrum ID	4ey1UIICRXi
Name	5-Phenyl-6-phenylsulfanylbenz[A]anthracene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	412.128571818 u
Formula	C30H20S
InChI	InChI=1S/C30H20S/c1-3-11-21(12-4-1)29-26-18-10-9-17-25(26)27-19-22-13-7-8-14-23(22)20-28(27)30(29)31-24-15-5-2-6-16-24/h1-20H
InChIKey	YBPGQEGPXJAWEO-UHFFFAOYSA-N
Molecular Weight	412.550 g/mol
SMILES	C=1(C=2C(=CC=3C(C2)=CC=CC3)C=2C(C1C=1C=CC=CC1)=CC=CC2)SC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.920939