5-Phenyl-6-(phenylthio)dibenz[b,f]oxepine

SpectraBase Compound ID	AQhrGm3gPXL
InChI	InChI=1S/C26H18OS/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26(25)28-20-13-5-2-6-14-20/h1-18H
InChIKey	VBLYOHJVOHFNCT-UHFFFAOYSA-N Google Search
Mol Weight	378.49 g/mol
Molecular Formula	C26H18OS
Exact Mass	378.107836 g/mol

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SpectraBase Spectrum ID	7q5TSnVHWZZ
Name	5-Phenyl-6-(phenylthio)dibenz[B,F]oxepine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	378.107836373 u
Formula	C26H18OS
InChI	InChI=1S/C26H18OS/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26(25)28-20-13-5-2-6-14-20/h1-18H
InChIKey	VBLYOHJVOHFNCT-UHFFFAOYSA-N
Molecular Weight	378.489 g/mol
SMILES	C1(=C(C=2C(=CC=CC2)OC=2C1=CC=CC2)C1=CC=CC=C1)SC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.893804